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EVODEX.1-P180

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[C:2]1[C:3]([H:32])=[C:4]([H:33])[C:5](=[O:6])[C:7]([H:34])=[C:8]1[H:35].[H][C@:22]1([O:23][H])[C@@:20]([O:21][H:42])([H:43])[C@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[O:16][C@@:15]([O:14][C@@:13]2([H:48])[O:12][C@@:11]([C:10]([O:9][H:57])([H:55])[H:56])([H:36])[C@:30]([O:31][H:53])([H:54])[C@@:28]([O:29][H:51])([H:52])[C@:26]2([O:27][H:49])[H:50])([H:37])[C@@:24]1([O:25][H:46])[H:47]>>[H][O:1][C:2]1:[C:3]([H:32]):[C:4]([H:33]):[C:5]([O:6][H]):[C:7]([H:34]):[C:8]:1[H:35].[O:9]([C:10]([C@@:11]1([H:36])[O:12][C@@:13]([O:14][C@@:15]2([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@:20]([O:21][H:42])([H:43])[C:22](=[O:23])[C@:24]2([O:25][H:46])[H:47])([H:48])[C@@:26]([O:27][H:49])([H:50])[C@:28]([O:29][H:51])([H:52])[C@@:30]1([O:31][H:53])[H:54])([H:55])[H:56])[H:57]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E314 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[#8:14](-[#6@:13](-[#6@:11])(-[#6@:15])-[H])-[H]>>[#6:13](-[#6@:11])(=[#8:14])-[#6@:15].[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1)-[H]

EVODEX.1-C1043 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:1].[#8:6]).([H]-[#6@:24](-[#8:25]-[H])(-[#6@@:22]-[#6@:19])-[#6@@:26].[#6@:13]-[#6@@:28]-[#6@:41])>>([H]-[#8:1].[#8:6]-[H]).([#6:24](-[#6@:22]-[#6@@:19])(=[#8:25])-[#6@:26].[#6@@:13]-[#6@:28]-[#6@@:41])

EVODEX.1-N1480 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).([H]-[#6@:22]1(-[#8:23]-[H])-[#6@@:20](-[#8:21])(-[H:43])-[#6@:17](-[#6:18])(-[H:41])-[#8:16]-[#6@@:15]-[#6@@:24]-1(-[#8:25])-[H:47].[#8:31]-[#6@@:30](-[#6@@:11])(-[H:54])-[#6@@:28](-[#8:29])(-[H:52])-[#6@:26](-[#6@@:13])(-[#8:27])-[H:50])>>([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H]).([#8:16]1-[#6@@:15]-[#6@@:24](-[#6:22](-[#6@@:20](-[#6@:17]-1(-[#6:18])-[H:41])(-[#8:21])-[H:43])=[#8:23])(-[#8:25])-[H:47].[#8:27]-[#6@:26](-[#6@@:13])(-[H:50])-[#6@:28](-[#8:29])(-[H:52])-[#6@@:30](-[#6@@:11])(-[#8:31])-[H:54])

EVODEX.1-Em195 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#6:2]1-[#6:3]=[#6:4]-[#6:5](=[#8:6])-[#6:7]=[#6:8]-1.[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1

EVODEX.1-Cm76 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([#8:1].[#8:6]).[H]-[#6:13]-[#8:14]-[H]>>[#6:13]=[#8:14].([H]-[#8:1].[#8:6]-[H])

EVODEX.1-Nm98 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:13](-[#6:11])(-[#8:14]-[H])-[#6:15]>>[#6:11]-[#6:13](=[#8:14])-[#6:15].([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H])

Source Full Reactions

EVODEX.1-R226

Full Reaction Rendering

[O:1]=[C:2]1[C:3]([H:32])=[C:4]([H:33])[C:5](=[O:6])[C:7]([H:34])=[C:8]1[H:35].[H][C@:22]1([O:23][H])[C@@:20]([O:21][H:42])([H:43])[C@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[O:16][C@@:15]([O:14][C@@:13]2([H:48])[O:12][C@@:11]([C:10]([O:9][H:57])([H:55])[H:56])([H:36])[C@:30]([O:31][H:53])([H:54])[C@@:28]([O:29][H:51])([H:52])[C@:26]2([O:27][H:49])[H:50])([H:37])[C@@:24]1([O:25][H:46])[H:47]>>[H][O:1][C:2]1:[C:3]([H:32]):[C:4]([H:33]):[C:5]([O:6][H]):[C:7]([H:34]):[C:8]:1[H:35].[O:9]([C:10]([C@@:11]1([H:36])[O:12][C@@:13]([O:14][C@@:15]2([H:37])[O:16][C@@:17]([C:18]([O:19][H:38])([H:39])[H:40])([H:41])[C@:20]([O:21][H:42])([H:43])[C:22](=[O:23])[C@:24]2([O:25][H:46])[H:47])([H:48])[C@@:26]([O:27][H:49])([H:50])[C@:28]([O:29][H:51])([H:52])[C@@:30]1([O:31][H:53])[H:54])([H:55])[H:56])[H:57]