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EVODEX.1-P2350

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E112 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:2]-[#8:3]-[H].[#6:12]-[#8:13]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23]>>[#15:2]-[#8:3]-[#6@@:14](-[H:32])(-[#8:15])-[#6@:23].[#6:12]-[#8:13]-[H]

EVODEX.1-C963 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:11](-[#6@:10]-[#6@:2])-[#6@:12].[H]-[#8:25]>>[#8:25]-[#6@@:12].[H]-[#8:11]-[#6@@:10]-[#6@@:2]

EVODEX.1-N1559 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:5]-[#15:2].[#8:10]-[#6@:11](-[H:38])(-[#8:12])-[#6@@:20](-[#6@@:18])(-[#8:21]-[#6@:22](-[H:47])(-[#8:23])-[#6@:31])-[H:58]>>[#15:2]-[#8:5]-[#6@:22](-[H:47])(-[#8:23])-[#6@:31].[H]-[#8:21]-[#6@@:20](-[H:58])(-[#6@@:11](-[#8:10])(-[H:38])-[#8:12])-[#6@@:18]

EVODEX.1-Em60 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#8:3]-[#15:2].[#6:14]-[#8:17]-[#6:18](-[#8:19])-[#6:27]>>[#15:2]-[#8:3]-[#6:18](-[#8:19])-[#6:27].[H]-[#8:17]-[#6:14]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm72 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#8:3]-[#15:2].[#6:14]-[#8:17]-[#6:18](-[#8:19])-[#6:27]>>[#15:2]-[#8:3]-[#6:18](-[#8:19])-[#6:27].[H]-[#8:17]-[#6:14]

Source Full Reactions

EVODEX.1-R3074

Full Reaction Rendering

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