EVODEX.1-P3112

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C14 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6@:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-N20 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:14](-[#7:13](-[H:37])-[H:38])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6@:8](-[#6:7])(-[#6:10])-[#7:13](-[H:37])-[H:38].[#8:9]=[#6:14](-[#6:15])-[#6:21]

EVODEX.1-Em536 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])(-[#7:7])-[#6:8]=[#8:9].[#6:16]-[#6:17](=[#8:18])-[#6:19]=[#8:20]>>[#6:5]-[#6:6](-[#6:8]=[#8:9])=[#8:18].[H]-[#6:17](-[#7:7])(-[#6:16])-[#6:19]=[#8:20]

EVODEX.1-Cm49 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-Nm75 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6:8](-[#6:7])(-[#6:10])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]

Source Full Reactions

EVODEX.1-R3774

Full Reaction Rendering

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