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EVODEX.1-P6276

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E142 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:4](=[#8:5])-[H].[#8:11]=[#6:12](-[#6:13])-[H:48]>>[#6:2]-[#6:4](=[#8:5])-[#6:12](-[#8:11]-[H])(-[#6:13])-[H:48]

EVODEX.1-C8 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-N300 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:12]=[#6:13](-[#6:14])-[H:27].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6@@:13](-[#6:2](=[#8:1])-[#6:3])(-[#6:14])-[H:27]

EVODEX.1-Em56 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]

EVODEX.1-Cm42 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1].[#6:12]=[#8:13]>>[H]-[#8:13]-[#6:12]-[#6:1]

EVODEX.1-Nm71 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:12]=[#6:13]-[#6:14].[H]-[#6:2](=[#8:1])-[#6:3]>>[H]-[#8:12]-[#6:13](-[#6:2](=[#8:1])-[#6:3])-[#6:14]

Source Full Reactions

EVODEX.1-R6880

Full Reaction Rendering

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