EVODEX.1-P1361

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E235 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:14](-[#6:15])(-[H:33])-[H].[#7:1]=[#6:2](-[#7:3])-[#7:4](-[#6:5])-[H:49]>>[#7:4](-[#6:5])(-[H:49])-[H].[#7:1]=[#6:2](-[#7:3])-[#7:14](-[#6:15])-[H:33]

EVODEX.1-C13 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-N289 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:9](-[#6:10])-[H:31].[#7:1]=[#6:2](-[#7:3])-[#7:4](-[#6:5])-[H:38]>>[H]-[#7:4](-[#6:5])-[H:38].[#7:1]=[#6:2](-[#7:3])-[#7:9](-[#6:10])-[H:31]

EVODEX.1-Em414 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#7:9]-[#6:10].[#7:1]=[#6:2](-[#7:3])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5].[#7:1]=[#6:2](-[#7:3])-[#7:9]-[#6:10]

EVODEX.1-Cm47 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#7:3].[H]-[#7:5]>>[#6:2]-[#7:5].[H]-[#7:3]

EVODEX.1-Nm374 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#7:9]-[#6:10].[#7:1]=[#6:2](-[#7:3])-[#7:4]-[#6:5]>>[H]-[#7:4]-[#6:5].[#7:1]=[#6:2](-[#7:3])-[#7:9]-[#6:10]

Source Full Reactions

EVODEX.1-R1877

Full Reaction Rendering

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