EVODEX.1-P4129

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R4969

Full Reaction Rendering

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