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EVODEX.1-P3754

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E247 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#16:2](=[#8:3])(-[#8:4])-[#8:5]-[#6:6].[#8:16](-[#6:17])-[H]>>[#8:1]=[#16:2](=[#8:3])(-[#8:4])-[#8:16]-[#6:17].[#8:5](-[#6:6])-[H]

EVODEX.1-C79 - Reaction Operator C

Reaction Operator C SMIRKS

[#16:2]-[#8:5].[H]-[#8:16]>>[#16:2]-[#8:16].[H]-[#8:5]

EVODEX.1-N591 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:1]=[#16:2](=[#8:3])(-[#8:4])-[#8:5]-[#6:6].[H]-[#8:16]-[#6:17]>>[#8:1]=[#16:2](=[#8:3])(-[#8:4])-[#8:16]-[#6:17].[H]-[#8:5]-[#6:6]

EVODEX.1-Em567 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:1]=[#16:2](=[#8:3])(-[#8:4])-[#8:5]-[#6:6].[H]-[#8:16]-[#6:17]>>[#8:1]=[#16:2](=[#8:3])(-[#8:4])-[#8:16]-[#6:17].[H]-[#8:5]-[#6:6]

EVODEX.1-Cm64 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:11].[#8:40]-[#16:41]>>[#8:11]-[#16:41].[H]-[#8:40]

EVODEX.1-Nm513 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:1]=[#16:2](=[#8:3])(-[#8:4])-[#8:5]-[#6:6].[H]-[#8:16]-[#6:17]>>[#8:1]=[#16:2](=[#8:3])(-[#8:4])-[#8:16]-[#6:17].[H]-[#8:5]-[#6:6]

Source Full Reactions

EVODEX.1-R4607

Full Reaction Rendering

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