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EVODEX.1-P4239

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]1:[C:4]([H:38]):[C:5]([H:39]):[N:6]([C@:7]2([H:40])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:41])[O:15][P:16](=[O:17])([O:18][H:42])[O:19][C@@:20]3([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]3([O:30][H:52])[H:53])([H:54])[H:55])([H:56])[C@:31]([O:32][H:57])([H:58])[C@:33]2([O:34][H:59])[H:60]):[C:35](=[O:36]):[N:37]:1[H:61].[H][O:1][H:62]>>[H][O:15][P:16](=[O:17])([O:18][H:42])[O:19][C@@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]1([O:30][H:52])[H:53].[O:1]([P:12]([O:11][C:10]([C@@:9]1([H:56])[O:8][C@:7]([N:6]2:[C:5]([H:39]):[C:4]([H:38]):[C:3](=[O:2]):[N:37]([H:61]):[C:35]:2=[O:36])([H:40])[C@@:33]([O:34][H:59])([H:60])[C@@:31]1([O:32][H:57])[H:58])([H:54])[H:55])(=[O:13])[O:14][H:41])[H:62]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E72 - Reaction Operator E

Reaction Operator E SMIRKS

([#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:28]-[#15:29].[#8:34]-[#6@@:33](-[#6@@:18])(-[H:49])-[#6@:35](-[#6@:16])(-[#8:36])-[H:51]).[#8:1](-[H:52])-[H]>>([#8:1](-[#15:25](-[#8:24])(=[#8:26])-[#8:27])-[H:52].[#8:36]-[#6@:35](-[#6@:16])(-[H:51])-[#6@@:33](-[#6@@:18])(-[#8:34])-[H:49]).[#8:28](-[#15:29])-[H]

EVODEX.1-C177 - Reaction Operator C

Reaction Operator C SMIRKS

([#15:16]-[#8:19].[#6@:24]-[#6@:26]).[H]-[#8:1]>>[H]-[#8:19].([#8:1]-[#15:16].[#6@@:26]-[#6@@:24])

EVODEX.1-N664 - Reaction Operator N

Reaction Operator N SMIRKS

([#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[#8:25]-[#6@@:24](-[#6@@:13])(-[H:40])-[#6@:26](-[#6@:11])(-[#8:27])-[H:42]).[H]-[#8:1]-[H:44]>>[H]-[#8:19]-[#15:20].([#8:1](-[#15:16](-[#8:15])(=[#8:17])-[#8:18])-[H:44].[#8:27]-[#6@:26](-[#6@:11])(-[H:42])-[#6@@:24](-[#6@@:13])(-[#8:25])-[H:40])

EVODEX.1-Em123 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm157 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:19]-[#15:20].[H]-[#8:1]>>[H]-[#8:19]-[#15:20].[#8:1]-[#15:16](-[#8:15])(=[#8:17])-[#8:18]

Source Full Reactions

EVODEX.1-R5087

Full Reaction Rendering

[O:2]=[C:3]1:[C:4]([H:38]):[C:5]([H:39]):[N:6]([C@:7]2([H:40])[O:8][C@@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:41])[O:15][P:16](=[O:17])([O:18][H:42])[O:19][C@@:20]3([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]3([O:30][H:52])[H:53])([H:54])[H:55])([H:56])[C@:31]([O:32][H:57])([H:58])[C@:33]2([O:34][H:59])[H:60]):[C:35](=[O:36]):[N:37]:1[H:61].[H][O:1][H:62]>>[H][O:15][P:16](=[O:17])([O:18][H:42])[O:19][C@@:20]1([H:43])[O:21][C@@:22]([C:23]([O:24][H:44])([H:45])[H:46])([H:47])[C@:25]([O:26][H:48])([H:49])[C@@:27]([O:28][H:50])([H:51])[C@:29]1([O:30][H:52])[H:53].[O:1]([P:12]([O:11][C:10]([C@@:9]1([H:56])[O:8][C@:7]([N:6]2:[C:5]([H:39]):[C:4]([H:38]):[C:3](=[O:2]):[N:37]([H:61]):[C:35]:2=[O:36])([H:40])[C@@:33]([O:34][H:59])([H:60])[C@@:31]1([O:32][H:57])[H:58])([H:54])[H:55])(=[O:13])[O:14][H:41])[H:62]