EVODEX.1-P4132

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E210 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#8:5]-[H].[#6:6]-[#8:7]-[#6:8](=[#8:9])-[#6:10]>>[#6:4]-[#8:5]-[#6:8](=[#8:9])-[#6:10].[#6:6]-[#8:7]-[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-N73 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

EVODEX.1-Em430 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

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-Nm128 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#8:3]-[#6:4](=[#8:5])-[#6:6].[H]-[#8:9]-[#6:10]>>[#6:4](=[#8:5])(-[#6:6])-[#8:9]-[#6:10].[H]-[#8:3]-[#6:2]

Source Full Reactions

EVODEX.1-R4972

Full Reaction Rendering

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