EVODEX Logo

EVODEX.1-P2368

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E319 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:2]-[#8:5]-[#6@:6](-[H:31])(-[#8:7])-[#6@:15].[#6:19]-[#6@:27](-[#6@@:25](-[#6@@:23]-[#8:24]-[H])(-[#8:26])-[H:48])(-[#8:28])-[H:50]>>[#8:24](-[#6@:6](-[H:31])(-[#8:7])-[#6@:15])-[#6@@:23]-[#6@:25](-[#6@@:27](-[#6:19])(-[#8:28])-[H:50])(-[#8:26])-[H:48].[#15:2]-[#8:5]-[H]

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-R3096

Full Reaction Rendering

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