|
53 | 53 |
|
54 | 54 | entry(
|
55 | 55 | index = 2,
|
56 |
| - label = "CCHY", |
57 |
| - group = |
58 |
| -""" |
59 |
| -1 *2 C u0 {2,S} {3,[S,D]} {4,S} |
60 |
| -2 *3 H u0 {1,S} |
61 |
| -3 *1 C u0 p1 c0 {1,[S,D]} |
62 |
| -4 [F1s,Cl1s,Br1s] u0 {1,S} |
63 |
| -""", |
64 |
| - kinetics = None, |
65 |
| -) |
66 |
| - |
67 |
| -entry( |
68 |
| - index = 3, |
69 | 56 | label = "CCH_Ext-3C-R_4R!H->Br",
|
70 | 57 | group =
|
71 | 58 | """
|
|
78 | 65 | )
|
79 | 66 |
|
80 | 67 | entry(
|
81 |
| - index = 4, |
| 68 | + index = 3, |
82 | 69 | label = "CCH_Ext-3C-R_N-4R!H->Br",
|
83 | 70 | group =
|
84 | 71 | """
|
|
91 | 78 | )
|
92 | 79 |
|
93 | 80 | entry(
|
94 |
| - index = 5, |
| 81 | + index = 4, |
95 | 82 | label = "CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F",
|
96 | 83 | group =
|
97 | 84 | """
|
|
104 | 91 | )
|
105 | 92 |
|
106 | 93 | entry(
|
107 |
| - index = 6, |
| 94 | + index = 5, |
108 | 95 | label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F",
|
109 | 96 | group =
|
110 | 97 | """
|
|
117 | 104 | )
|
118 | 105 |
|
119 | 106 | entry(
|
120 |
| - index = 7, |
| 107 | + index = 6, |
121 | 108 | label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing",
|
122 | 109 | group =
|
123 | 110 | """
|
|
130 | 117 | )
|
131 | 118 |
|
132 | 119 | entry(
|
133 |
| - index = 8, |
| 120 | + index = 7, |
134 | 121 | label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C",
|
135 | 122 | group =
|
136 | 123 | """
|
|
144 | 131 | )
|
145 | 132 |
|
146 | 133 | entry(
|
147 |
| - index = 9, |
| 134 | + index = 8, |
148 | 135 | label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R",
|
149 | 136 | group =
|
150 | 137 | """
|
|
160 | 147 | )
|
161 | 148 |
|
162 | 149 | entry(
|
163 |
| - index = 10, |
| 150 | + index = 9, |
164 | 151 | label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C",
|
165 | 152 | group =
|
166 | 153 | """
|
|
174 | 161 | )
|
175 | 162 |
|
176 | 163 | entry(
|
177 |
| - index = 11, |
| 164 | + index = 10, |
178 | 165 | label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-4CCl",
|
179 | 166 | group =
|
180 | 167 | """
|
|
189 | 176 | )
|
190 | 177 |
|
191 | 178 | entry(
|
192 |
| - index = 12, |
| 179 | + index = 11, |
193 | 180 | label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-4CCl",
|
194 | 181 | group =
|
195 | 182 | """
|
|
204 | 191 | )
|
205 | 192 |
|
206 | 193 | entry(
|
207 |
| - index = 13, |
| 194 | + index = 12, |
208 | 195 | label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_N-1C-inRing",
|
209 | 196 | group =
|
210 | 197 | """
|
|
217 | 204 | )
|
218 | 205 |
|
219 | 206 | entry(
|
220 |
| - index = 14, |
| 207 | + index = 13, |
221 | 208 | label = "CCY",
|
222 | 209 | group =
|
223 | 210 | """
|
|
232 | 219 | """
|
233 | 220 | L1: Root
|
234 | 221 | L2: CCH
|
235 |
| - L3: CCHY |
236 | 222 | L3: CCH_Ext-3C-R_4R!H->Br
|
237 | 223 | L3: CCH_Ext-3C-R_N-4R!H->Br
|
238 | 224 | L4: CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F
|
|
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