EVODEX Logo

EVODEX.1-P2918

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:16])([H:17])[H:18])([H:19])[H:20])([C:8](=[O:9])[O:10][H:21])[H:22])([H:23])[H:24].[H][C:12](=[O:11])[C:13](=[O:14])[O:15][H:25]>>[C:3]([C:4]([C:5](=[O:6])[O:7][H:16])([H:17])[H:18])([C:12](=[O:11])[C:13](=[O:14])[O:15][H:25])([H:19])[H:20].[H][C:2]([N:1]([H:23])[H:24])([C:8](=[O:9])[O:10][H:21])[H:22]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E277 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](-[#6@:7](-[#7:8])(-[#6:9])-[H:20])(-[H:21])-[H:22].[#8:12]=[#6:13](-[#6:14]=[#8:15])-[H]>>[#6:7](-[#7:8])(-[#6:9])(-[H:20])-[H].[#6:5]-[#6:6](-[#6:13](=[#8:12])-[#6:14]=[#8:15])(-[H:21])-[H:22]

EVODEX.1-C20 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:1]-[#6@@:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6@@:61]

EVODEX.1-N532 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:1]-[#6@@:2](-[#6:3](-[#6:4])(-[H:28])-[H:29])(-[#6:14])-[H:31].[H]-[#6:18](=[#8:17])-[#6:19]>>[#6:3](-[#6:4])(-[#6:18](=[#8:17])-[#6:19])(-[H:28])-[H:29].[H]-[#6:2](-[#7:1])(-[#6:14])-[H:31]

EVODEX.1-Em542 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7:1]-[#6:2](-[#6:3]-[#6:4])-[#6:14].[H]-[#6:18](=[#8:17])-[#6:19]=[#8:20]>>[#6:3](-[#6:4])-[#6:18](=[#8:17])-[#6:19]=[#8:20].[H]-[#6:2](-[#7:1])-[#6:14]

EVODEX.1-Cm57 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:1]-[#6:2].[H]-[#6:61]>>[H]-[#6:2].[#6:1]-[#6:61]

EVODEX.1-Nm491 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#7:1]-[#6:2](-[#6:3]-[#6:4])-[#6:14].[H]-[#6:18](=[#8:17])-[#6:19]>>[#6:3](-[#6:4])-[#6:18](=[#8:17])-[#6:19].[H]-[#6:2](-[#7:1])-[#6:14]

Source Full Reactions

EVODEX.1-R3599

Full Reaction Rendering

[N:1]([C@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:16])([H:17])[H:18])([H:19])[H:20])([C:8](=[O:9])[O:10][H:21])[H:22])([H:23])[H:24].[H][C:12](=[O:11])[C:13](=[O:14])[O:15][H:25]>>[C:3]([C:4]([C:5](=[O:6])[O:7][H:16])([H:17])[H:18])([C:12](=[O:11])[C:13](=[O:14])[O:15][H:25])([H:19])[H:20].[H][C:2]([N:1]([H:23])[H:24])([C:8](=[O:9])[O:10][H:21])[H:22]