EVODEX.1-P5866

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1](=[C:2]([N:3]([C@@:4]([C:5]([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([O:10][H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])([C:13](=[O:14])[O:15][H:24])[H:25])[H:26])[H:27])[H:28].[H][O:16][H]>>[C:2]([N:3]([C@@:4]([C:5]([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([O:10][H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])([C:13](=[O:14])[O:15][H:24])[H:25])[H:26])(=[O:16])[H:27].[H][N:1]([H])[H:28]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E94 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:5]-[#6:6](=[#7:7]-[H:15])-[H:16].[#8:11](-[H])-[H]>>[#7:5]-[#6:6](=[#8:11])-[H:16].[#7:7](-[H:15])(-[H])-[H]

EVODEX.1-C708 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:6]=[#7:7].[H]-[#8:11]-[H]>>[#6:6]=[#8:11].[H]-[#7:7]-[H]

EVODEX.1-N873 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:5]-[#6:6](=[#7:7]-[H:15])-[H:16].[H]-[#8:11]-[H]>>[#7:5]-[#6:6](=[#8:11])-[H:16].[H]-[#7:7](-[H])-[H:15]

EVODEX.1-Em682 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7:5]-[#6:6]=[#7:7].[H]-[#8:11]-[H]>>[#7:5]-[#6:6]=[#8:11].[H]-[#7:7]-[H]

EVODEX.1-Cm275 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:6]=[#7:7].[H]-[#8:11]-[H]>>[#6:6]=[#8:11].[H]-[#7:7]-[H]

EVODEX.1-Nm615 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#7:5]-[#6:6]=[#7:7].[H]-[#8:11]-[H]>>[#7:5]-[#6:6]=[#8:11].[H]-[#7:7]-[H]

Source Full Reactions

EVODEX.1-R6547

Full Reaction Rendering

[N:1](=[C:2]([N:3]([C@@:4]([C:5]([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([O:10][H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])([C:13](=[O:14])[O:15][H:24])[H:25])[H:26])[H:27])[H:28].[H][O:16][H]>>[C:2]([N:3]([C@@:4]([C:5]([C:6]1:[C:7]([H:17]):[C:8]([H:18]):[C:9]([O:10][H:19]):[C:11]([H:20]):[C:12]:1[H:21])([H:22])[H:23])([C:13](=[O:14])[O:15][H:24])[H:25])[H:26])(=[O:16])[H:27].[H][N:1]([H])[H:28]