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EVODEX.1-P6479

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:18]([C:17]([C:16]([C:15]([C@@:14]1([H:63])[C:2](=[C:1]([H:64])[H:65])[C:3]([H:30])([H:31])[C:4]([H:32])([H:33])[C@@:5]2([H:34])[C:6]([C:7]([H:35])([H:36])[H:37])([C:8]([H:38])([H:39])[H:40])[C:9]([H:41])([H:42])[C:10]([H:43])([H:44])[C:11]([H:45])([H:46])[C@@:12]21[C:13]([H:47])([H:48])[H:49])([H:61])[H:62])([H:59])[H:60])=[C:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:53])[O:25][P:26](=[O:27])([O:28][H:54])[O:29][H:55])([H:56])[H:57])[H:58])([H:50])[H:51]>>[C:1](=[C:2]1[C:3]([H:30])([H:31])[C:4]([H:32])([H:33])[C@@:5]2([H:34])[C:6]([C:7]([H:35])([H:36])[H:37])([C:8]([H:38])([H:39])[H:40])[C:9]([H:41])([H:42])[C:10]([H:43])([H:44])[C:11]([H:45])([H:46])[C@:12]2([C:13]([H:47])([H:48])[H:49])[C@:14]1([C:15]([C:16]([C:17](=[C:18]([H:50])[H:51])[C:19](=[C:20]([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])([H:64])[H:65].[H][O:21][P:22](=[O:23])([O:24][H:53])[O:25][P:26](=[O:27])([O:28][H:54])[O:29][H:55]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E198 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:12](-[#6:13](-[H:32])(-[H:33])-[H])=[#6:14]-[#6:16](-[#8:17]-[#15:18])(-[H:38])-[H:39]>>[#6:12](=[#6:13](-[H:32])-[H:33])-[#6:14]=[#6:16](-[H:38])-[H:39].[#8:17](-[#15:18])-[H]

EVODEX.1-C1451 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#6:18].[#6:20]-[#8:21].[#6@@:14])>>([#6:18].[#6:20].[#6@:14]).[H]-[#8:21]

EVODEX.1-N1859 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#6:18](-[#6:17]=[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:56])-[H:57])(-[H:50])-[H:51].[#6:15]-[#6@@:14](-[H:63])(-[#6:2])-[#6@:12])>>([#6:2]-[#6@@:14](-[#6@:12])(-[#6:15])-[H:63].[#6:17](=[#6:18](-[H:50])-[H:51])-[#6:19]=[#6:20](-[H:56])-[H:57]).[H]-[#8:21]-[#15:22]

EVODEX.1-Em773 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:13]-[#6:12]=[#6:14]-[#6:16]-[#8:17]-[#15:18]>>[#6:12](=[#6:13])-[#6:14]=[#6:16].[H]-[#8:17]-[#15:18]

EVODEX.1-Cm301 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

([H]-[#6:13].[#6:16]-[#8:17])>>([#6:13].[#6:16]).[H]-[#8:17]

EVODEX.1-Nm694 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:13]-[#6:12]=[#6:14]-[#6:16]-[#8:17]-[#15:18]>>[#6:12](=[#6:13])-[#6:14]=[#6:16].[H]-[#8:17]-[#15:18]

Source Full Reactions

EVODEX.1-R7063

Full Reaction Rendering

[H][C:18]([C:17]([C:16]([C:15]([C@@:14]1([H:63])[C:2](=[C:1]([H:64])[H:65])[C:3]([H:30])([H:31])[C:4]([H:32])([H:33])[C@@:5]2([H:34])[C:6]([C:7]([H:35])([H:36])[H:37])([C:8]([H:38])([H:39])[H:40])[C:9]([H:41])([H:42])[C:10]([H:43])([H:44])[C:11]([H:45])([H:46])[C@@:12]21[C:13]([H:47])([H:48])[H:49])([H:61])[H:62])([H:59])[H:60])=[C:19]([C:20]([O:21][P:22](=[O:23])([O:24][H:53])[O:25][P:26](=[O:27])([O:28][H:54])[O:29][H:55])([H:56])[H:57])[H:58])([H:50])[H:51]>>[C:1](=[C:2]1[C:3]([H:30])([H:31])[C:4]([H:32])([H:33])[C@@:5]2([H:34])[C:6]([C:7]([H:35])([H:36])[H:37])([C:8]([H:38])([H:39])[H:40])[C:9]([H:41])([H:42])[C:10]([H:43])([H:44])[C:11]([H:45])([H:46])[C@:12]2([C:13]([H:47])([H:48])[H:49])[C@:14]1([C:15]([C:16]([C:17](=[C:18]([H:50])[H:51])[C:19](=[C:20]([H:56])[H:57])[H:58])([H:59])[H:60])([H:61])[H:62])[H:63])([H:64])[H:65].[H][O:21][P:22](=[O:23])([O:24][H:53])[O:25][P:26](=[O:27])([O:28][H:54])[O:29][H:55]