Skip to content

Commit e635e1d

Browse files
committed
removed CCHY node from Singlet_Carbene_Intra_Disproportionation
there is no rate rule for this group
1 parent fd8395b commit e635e1d

File tree

1 file changed

+11
-25
lines changed
  • input/kinetics/families/Singlet_Carbene_Intra_Disproportionation

1 file changed

+11
-25
lines changed

input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/groups.py

Lines changed: 11 additions & 25 deletions
Original file line numberDiff line numberDiff line change
@@ -53,19 +53,6 @@
5353

5454
entry(
5555
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,
6956
label = "CCH_Ext-3C-R_4R!H->Br",
7057
group =
7158
"""
@@ -78,7 +65,7 @@
7865
)
7966

8067
entry(
81-
index = 4,
68+
index = 3,
8269
label = "CCH_Ext-3C-R_N-4R!H->Br",
8370
group =
8471
"""
@@ -91,7 +78,7 @@
9178
)
9279

9380
entry(
94-
index = 5,
81+
index = 4,
9582
label = "CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F",
9683
group =
9784
"""
@@ -104,7 +91,7 @@
10491
)
10592

10693
entry(
107-
index = 6,
94+
index = 5,
10895
label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F",
10996
group =
11097
"""
@@ -117,7 +104,7 @@
117104
)
118105

119106
entry(
120-
index = 7,
107+
index = 6,
121108
label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing",
122109
group =
123110
"""
@@ -130,7 +117,7 @@
130117
)
131118

132119
entry(
133-
index = 8,
120+
index = 7,
134121
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",
135122
group =
136123
"""
@@ -144,7 +131,7 @@
144131
)
145132

146133
entry(
147-
index = 9,
134+
index = 8,
148135
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",
149136
group =
150137
"""
@@ -160,7 +147,7 @@
160147
)
161148

162149
entry(
163-
index = 10,
150+
index = 9,
164151
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",
165152
group =
166153
"""
@@ -174,7 +161,7 @@
174161
)
175162

176163
entry(
177-
index = 11,
164+
index = 10,
178165
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",
179166
group =
180167
"""
@@ -189,7 +176,7 @@
189176
)
190177

191178
entry(
192-
index = 12,
179+
index = 11,
193180
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",
194181
group =
195182
"""
@@ -204,7 +191,7 @@
204191
)
205192

206193
entry(
207-
index = 13,
194+
index = 12,
208195
label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_N-1C-inRing",
209196
group =
210197
"""
@@ -217,7 +204,7 @@
217204
)
218205

219206
entry(
220-
index = 14,
207+
index = 13,
221208
label = "CCY",
222209
group =
223210
"""
@@ -232,7 +219,6 @@
232219
"""
233220
L1: Root
234221
L2: CCH
235-
L3: CCHY
236222
L3: CCH_Ext-3C-R_4R!H->Br
237223
L3: CCH_Ext-3C-R_N-4R!H->Br
238224
L4: CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F

0 commit comments

Comments
 (0)