EVODEX.1-P5475

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E136 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[H:14].[#7:6](-[#6:7])(-[H:27])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#7:6](-[#6:7])-[H:27].[#8:5](-[H:14])-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-N14 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[H:22].[H]-[#7:19](-[#6:18])-[H:28]>>[#6:1]-[#6:2](=[#8:3])-[#7:19](-[#6:18])-[H:28].[H]-[#8:4]-[H:22]

EVODEX.1-Em54 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm61 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R6219

Full Reaction Rendering

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