EVODEX.1-P4196

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[P:3]([O:4][H:29])([O:5][H:30])[O:6][C:7]1:[C:8]([H:31]):[C:9]([H:32]):[C:10]([C:11]2([C:12]3:[C:13]([H:33]):[C:14]([H:34]):[C:15]([O:16][H:35]):[C:17]([H:36]):[C:18]:3[H:37])[O:19][C:20]([H:38])([H:39])[C:21]3:[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]:32):[C:27]([H:44]):[C:28]:1[H:45].[H][O:1][H:46]>>[O:1]([P:3](=[O:2])([O:4][H:29])[O:5][H:30])[H:46].[H][O:6][C:7]1:[C:8]([H:31]):[C:9]([H:32]):[C:10]([C:11]2([C:12]3:[C:13]([H:33]):[C:14]([H:34]):[C:15]([O:16][H:35]):[C:17]([H:36]):[C:18]:3[H:37])[O:19][C:20]([H:38])([H:39])[C:21]3:[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]:32):[C:27]([H:44]):[C:28]:1[H:45]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E211 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:14](-[#6@@:13])-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[#8:39](-[H:64])-[H]>>[#8:14](-[#6@@:13])-[H].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8:39]-[H:64]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N1373 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:2]=[#15:3](-[#8:4])(-[#8:5])-[#8:6]-[#6@:7].[H]-[#8:1]-[H:53]>>[#8:1](-[#15:3](=[#8:2])(-[#8:4])-[#8:5])-[H:53].[H]-[#8:6]-[#6@:7]

EVODEX.1-Em615 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:13]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:39]>>[H]-[#8:14]-[#6:13].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8:39]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm550 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:13]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:39]>>[H]-[#8:14]-[#6:13].[#15:15](=[#8:16])(-[#8:17])(-[#8:18])-[#8:39]

Source Full Reactions

EVODEX.1-R5045

Full Reaction Rendering

[O:2]=[P:3]([O:4][H:29])([O:5][H:30])[O:6][C:7]1:[C:8]([H:31]):[C:9]([H:32]):[C:10]([C:11]2([C:12]3:[C:13]([H:33]):[C:14]([H:34]):[C:15]([O:16][H:35]):[C:17]([H:36]):[C:18]:3[H:37])[O:19][C:20]([H:38])([H:39])[C:21]3:[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]:32):[C:27]([H:44]):[C:28]:1[H:45].[H][O:1][H:46]>>[O:1]([P:3](=[O:2])([O:4][H:29])[O:5][H:30])[H:46].[H][O:6][C:7]1:[C:8]([H:31]):[C:9]([H:32]):[C:10]([C:11]2([C:12]3:[C:13]([H:33]):[C:14]([H:34]):[C:15]([O:16][H:35]):[C:17]([H:36]):[C:18]:3[H:37])[O:19][C:20]([H:38])([H:39])[C:21]3:[C:22]([H:40]):[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]:32):[C:27]([H:44]):[C:28]:1[H:45]