EVODEX.1-P5793

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([S:16][C:17]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([N:18]([C:19](=[O:20])[H:29])[H:30])[H:31])[H:32])([H:33])[H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:21][H:41]>>[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([H:36])[H:37])[H:35])=[O:8])([H:33])[H:34])[H:32])=[O:12])([C:14]([C:15]([S:16][C:17]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[H:31])[H:30].[C:19](=[O:20])([O:21][H:41])[H:29]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E103 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6:6](=[#8:7])-[H:9])-[H:10].[#8:8](-[H:20])-[H]>>[#6:4]-[#7:5](-[H:10])-[H].[#6:6](=[#8:7])(-[#8:8]-[H:20])-[H:9]

EVODEX.1-C12 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-N1839 - Reaction Operator N

Reaction Operator N SMIRKS

[#7:18](-[#6@:13])(-[#6:19](=[#8:20])-[H:29])-[H:30].[H]-[#8:21]-[H:41]>>[H]-[#7:18](-[#6@:13])-[H:30].[#6:19](=[#8:20])(-[#8:21]-[H:41])-[H:29]

EVODEX.1-Em130 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:6]-[#7:14]-[#6:15]=[#8:16].[H]-[#8:26]>>[H]-[#7:14]-[#6:6].[#6:15](=[#8:16])-[#8:26]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm164 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:6]-[#7:14]-[#6:15]=[#8:16].[H]-[#8:26]>>[H]-[#7:14]-[#6:6].[#6:15](=[#8:16])-[#8:26]

Source Full Reactions

EVODEX.1-R6486

Full Reaction Rendering

[C:1]([O:2][C:3](=[O:4])[C:5]([N:6]([C:7](=[O:8])[C:9]([N:10]([C:11](=[O:12])[C@:13]([C:14]([C:15]([S:16][C:17]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])([N:18]([C:19](=[O:20])[H:29])[H:30])[H:31])[H:32])([H:33])[H:34])[H:35])([H:36])[H:37])([H:38])([H:39])[H:40].[H][O:21][H:41]>>[H][N:18]([C@:13]([C:11]([N:10]([C:9]([C:7]([N:6]([C:5]([C:3]([O:2][C:1]([H:38])([H:39])[H:40])=[O:4])([H:36])[H:37])[H:35])=[O:8])([H:33])[H:34])[H:32])=[O:12])([C:14]([C:15]([S:16][C:17]([H:22])([H:23])[H:24])([H:25])[H:26])([H:27])[H:28])[H:31])[H:30].[C:19](=[O:20])([O:21][H:41])[H:29]