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EVODEX.1-P2421

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-C166 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:8].[#8:18](-[#6@@:15]-[#6@:30]-[#6@@:32])-[#6@@:19]>>[#8:8]-[#6@@:19].[H]-[#8:18]-[#6:15]-[#6@@:30]-[#6@:32]

EVODEX.1-N1568 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:3]-[#15:2].[#8:13]1-[#6@@:12]-[#6@:31](-[#6@@:29](-[#6@:14]-1(-[#6:15])-[#8:17]-[#6@@:18](-[H:42])(-[#8:19])-[#6@:27])(-[#8:30])-[H:54])(-[#8:32])-[H:56]>>[#15:2]-[#8:3]-[#6@@:18](-[H:42])(-[#8:19])-[#6@:27].[H]-[#8:17]-[#6@:14]1(-[#6:15])-[#8:13]-[#6@@:12]-[#6@:31](-[#8:32])(-[H:56])-[#6@@:29]-1(-[#8:30])-[H:54]

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-R3155

Full Reaction Rendering

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