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EVODEX.1-P4113

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

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-Em466 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]=[#6:2]-[#6:4](=[#8:5])-[#8:6]-[#6:7].[H]-[#8:8]-[#6:9]>>[#6:1]=[#6:2]-[#6:4](=[#8:5])-[#8:8]-[#6:9].[H]-[#8:6]-[#6:7]

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-R4953

Full Reaction Rendering

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