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EVODEX.1-P3755

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:23]):[C:6]([H:24]):[C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:25]):[C:13]([H:26]):[C:14]:1[H:27].[H][O:15][C:16]1:[C:17]([H:28]):[C:18]([H:29]):[C:19]([H:30]):[C:20]([O:21][H:31]):[C:22]:1[H:32]>>[H][O:8][C:7]1:[C:6]([H:24]):[C:5]([H:23]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:27]):[C:13]:1[H:26].[S:9](=[O:10])(=[O:11])([O:12][H:25])[O:15][C:16]1:[C:17]([H:28]):[C:18]([H:29]):[C:19]([H:30]):[C:20]([O:21][H:31]):[C:22]:1[H:32]

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-R4617

Full Reaction Rendering

[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:23]):[C:6]([H:24]):[C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:25]):[C:13]([H:26]):[C:14]:1[H:27].[H][O:15][C:16]1:[C:17]([H:28]):[C:18]([H:29]):[C:19]([H:30]):[C:20]([O:21][H:31]):[C:22]:1[H:32]>>[H][O:8][C:7]1:[C:6]([H:24]):[C:5]([H:23]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:27]):[C:13]:1[H:26].[S:9](=[O:10])(=[O:11])([O:12][H:25])[O:15][C:16]1:[C:17]([H:28]):[C:18]([H:29]):[C:19]([H:30]):[C:20]([O:21][H:31]):[C:22]:1[H:32]