EVODEX.1-P4213

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E96 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:9](-[#6@@:8])(-[#8:10]-[#15:11])(-[H:62])-[H:63].[#8:44](-[H:71])-[H]>>[#6:9](-[#6@@:8])(-[#8:44]-[H:71])(-[H:62])-[H:63].[#8:10](-[#15:11])-[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-N659 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:9](-[#6@@:8])(-[#8:10]-[#15:11])(-[H:33])-[H:34].[H]-[#8:26]-[H:42]>>[#6:9](-[#6@@:8])(-[#8:26]-[H:42])(-[H:33])-[H:34].[H]-[#8:10]-[#15:11]

EVODEX.1-Em121 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:8]-[#6:9]-[#8:10]-[#15:11].[H]-[#8:26]>>[#6:8]-[#6:9]-[#8:26].[H]-[#8:10]-[#15:11]

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-Nm155 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:8]-[#6:9]-[#8:10]-[#15:11].[H]-[#8:26]>>[#6:8]-[#6:9]-[#8:26].[H]-[#8:10]-[#15:11]

Source Full Reactions

EVODEX.1-R5061

Full Reaction Rendering

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