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EVODEX.1-P2340

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C81 - Reaction Operator C

Reaction Operator C SMIRKS

[#8:8]-[#6@:7]-[#6@@:18]-[#6@:20]-[#6@@:22].[H]-[#8:1]>>[#8:1]-[#6:7]-[#6@:18]-[#6@@:20]-[#6@:22].[H]-[#8:8]

EVODEX.1-N442 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:3]-[#15:2].[#8:9]1-[#6@@:8]-[#6@:68](-[#6@@:66](-[#6@:64](-[#6@@:10]-1(-[#8:11]-[#6@:12])-[H:121])(-[#8:65])-[H:123])(-[#8:67])-[H:125])(-[#8:69])-[H:127]>>[#15:2]-[#8:3]-[#6@@:10]1(-[H:121])-[#8:9]-[#6@@:8]-[#6@:68](-[#8:69])(-[H:127])-[#6@@:66](-[#8:67])(-[H:125])-[#6@:64]-1(-[#8:65])-[H:123].[H]-[#8:11]-[#6@:12]

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-R3060

Full Reaction Rendering

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