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EVODEX.1-P170

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@@:20]1([O:21][H])[C@@:18]([O:19][H:40])([H:41])[C@:16]([O:17][H:38])([H:39])[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@:23]([C:24]([O:25][H:44])([H:45])[H:46])([H:47])[O:22]1>>[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])[C@@:16]([O:17][H:38])([H:39])[C@:18]([O:19][H:40])([H:41])[C:20](=[O:21])[O:22][C@@:23]2([C:24]([O:25][H:44])([H:45])[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-E317 - 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.[#8:17]-[#6@:18](-[#8:19]-[H])(-[H])-[#6@@:20]>>[#8:1](-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1)-[H].[#8:17]-[#6:18](=[#8:19])-[#6@@:20]

EVODEX.1-C1042 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:8].[#8:18]).([H]-[#6@@:30](-[#8:31]-[H])-[#6@@:28]-[#6@:26].[#6@:40]-[#6@@:38]-[#6@:36].[#6@:33])>>([H]-[#8:8].[#8:18]-[H]).([#6:30](-[#6@:28]-[#6@@:26])=[#8:31].[#6@@:33].[#6@@:36]-[#6@:38]-[#6@@:40])

EVODEX.1-N1294 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:7]=[#8:8].[#6:17]=[#8:18]).([H]-[#6@@:30]1(-[#8:31]-[H])-[#6@@:28](-[#8:29])(-[H:65])-[#6@:26](-[#8:27])(-[H:63])-[#6@@:25]-[#6@:33](-[#6:34])(-[H:71])-[#8:32]-1.[#8:41]-[#6@@:40](-[#6@@:21])(-[H:78])-[#6@@:38](-[#8:39])(-[H:76])-[#6@:36](-[#6@:23])(-[#8:37])-[H:74])>>([H]-[#8:8]-[#6:7].[#6:17]-[#8:18]-[H]).([#8:27]-[#6@:26]1(-[#6@@:25]-[#6@:33](-[#8:32]-[#6:30](-[#6@@:28]-1(-[#8:29])-[H:65])=[#8:31])(-[#6:34])-[H:71])-[H:63].[#8:37]-[#6@:36](-[#6@:23])(-[H:74])-[#6@:38](-[#8:39])(-[H:76])-[#6@@:40](-[#6@@:21])(-[#8:41])-[H:78])

EVODEX.1-Em186 - 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]-[#6:18](-[#8:19]-[H])(-[#8:17])-[#6:20]>>[H]-[#8:1]-[#6:2]1:[#6:3]:[#6:4]:[#6:5](-[#8:6]-[H]):[#6:7]:[#6:8]:1.[#8:17]-[#6:18](=[#8:19])-[#6:20]

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-Nm192 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

([#8:1]=[#6:2].[#6:5]=[#8:6]).[H]-[#6:18](-[#8:19]-[H])(-[#8:17])-[#6:20]>>([H]-[#8:1]-[#6:2].[#6:5]-[#8:6]-[H]).[#8:17]-[#6:18](=[#8:19])-[#6:20]

Source Full Reactions

EVODEX.1-R216

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@@:20]1([O:21][H])[C@@:18]([O:19][H:40])([H:41])[C@:16]([O:17][H:38])([H:39])[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@:23]([C:24]([O:25][H:44])([H:45])[H:46])([H:47])[O:22]1>>[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])[C@@:16]([O:17][H:38])([H:39])[C@:18]([O:19][H:40])([H:41])[C:20](=[O:21])[O:22][C@@:23]2([C:24]([O:25][H:44])([H:45])[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]