EVODEX.1-P2402

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[P:2]([O:3][H:35])([O:4][H:36])[O:5][C@@:6]1([H:37])[O:7][C@@:8]([C:9]([O:10][H:38])([H:39])[H:40])([H:41])[C@:11]([O:12][H:42])([H:43])[C@@:13]([O:14][H:44])([H:45])[C@:15]1([O:16][H:46])[H:47].[H][O:32][C@:31]1([H:58])[C@:29]([O:30][H:55])([H:56])[C@@:21]([O:22][C:23]2:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:2[H:53])([H:54])[O:20][C@@:19]([C:18]([O:17][H:63])([H:61])[H:62])([H:48])[C@:33]1([O:34][H:59])[H:60]>>[C@@:6]1([O:32][C@:31]2([H:58])[C@:29]([O:30][H:55])([H:56])[C@@:21]([O:22][C:23]3:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:3[H:53])([H:54])[O:20][C@@:19]([C:18]([O:17][H:63])([H:61])[H:62])([H:48])[C@:33]2([O:34][H:59])[H:60])([H:37])[O:7][C@@:8]([C:9]([O:10][H:38])([H:39])[H:40])([H:41])[C@:11]([O:12][H:42])([H:43])[C@@:13]([O:14][H:44])([H:45])[C@:15]1([O:16][H:46])[H:47].[H][O:5][P:2](=[O:1])([O:3][H:35])[O:4][H:36]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N7 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7](-[#6@@:6](-[#6@@:5])(-[H:95])-[#8:32])-[#15:8].[H]-[#8:78]-[#6@:77]>>[#8:78](-[#6@@:6](-[#6@@:5])(-[H:95])-[#8:32])-[#6@:77].[H]-[#8:7]-[#15:8]

EVODEX.1-Em20 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

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-Nm20 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15:15]-[#8:18]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:62]-[#6:61]>>[#6:19](-[#8:62]-[#6:61])(-[#8:20])-[#6:26].[H]-[#8:18]-[#15:15]

Source Full Reactions

EVODEX.1-R3134

Full Reaction Rendering

[O:1]=[P:2]([O:3][H:35])([O:4][H:36])[O:5][C@@:6]1([H:37])[O:7][C@@:8]([C:9]([O:10][H:38])([H:39])[H:40])([H:41])[C@:11]([O:12][H:42])([H:43])[C@@:13]([O:14][H:44])([H:45])[C@:15]1([O:16][H:46])[H:47].[H][O:32][C@:31]1([H:58])[C@:29]([O:30][H:55])([H:56])[C@@:21]([O:22][C:23]2:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:2[H:53])([H:54])[O:20][C@@:19]([C:18]([O:17][H:63])([H:61])[H:62])([H:48])[C@:33]1([O:34][H:59])[H:60]>>[C@@:6]1([O:32][C@:31]2([H:58])[C@:29]([O:30][H:55])([H:56])[C@@:21]([O:22][C:23]3:[C:24]([H:49]):[C:25]([H:50]):[C:26]([H:51]):[C:27]([H:52]):[C:28]:3[H:53])([H:54])[O:20][C@@:19]([C:18]([O:17][H:63])([H:61])[H:62])([H:48])[C@:33]2([O:34][H:59])[H:60])([H:37])[O:7][C@@:8]([C:9]([O:10][H:38])([H:39])[H:40])([H:41])[C@:11]([O:12][H:42])([H:43])[C@@:13]([O:14][H:44])([H:45])[C@:15]1([O:16][H:46])[H:47].[H][O:5][P:2](=[O:1])([O:3][H:35])[O:4][H:36]