EVODEX.1-P5189

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[O:2]=[C:3]([C:4]([C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]([H:27]):[C:9]([H:28]):[C:10]:1[H:29])([H:30])[H:31])[N:11]([C:12]([C:13](=[O:14])[O:15][C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:34]):[C:24]:1[H:35])([H:36])[H:37])[H:38].[H][O:1][H:39]>>[H][O:15][C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:34]):[C:24]:1[H:35].[O:1]([C:13]([C:12]([N:11]([C:3](=[O:2])[C:4]([C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]([H:27]):[C:9]([H:28]):[C:10]:1[H:29])([H:30])[H:31])[H:38])([H:36])[H:37])=[O:14])[H:39]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E135 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#8:4]-[#6:5].[#8:26](-[H:47])-[H]>>[#6:1]-[#6:2](=[#8:3])-[#8:26]-[H:47].[#8:4](-[#6:5])-[H]

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N55 - Reaction Operator N

Reaction Operator N SMIRKS

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

EVODEX.1-Em597 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:12]-[#6:13](=[#8:14])-[#8:15]-[#6:16].[H]-[#8:1]>>[H]-[#8:15]-[#6:16].[#8:1]-[#6:13](-[#6:12])=[#8:14]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm149 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R5951

Full Reaction Rendering

[O:2]=[C:3]([C:4]([C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]([H:27]):[C:9]([H:28]):[C:10]:1[H:29])([H:30])[H:31])[N:11]([C:12]([C:13](=[O:14])[O:15][C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:34]):[C:24]:1[H:35])([H:36])[H:37])[H:38].[H][O:1][H:39]>>[H][O:15][C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:34]):[C:24]:1[H:35].[O:1]([C:13]([C:12]([N:11]([C:3](=[O:2])[C:4]([C:5]1:[C:6]([H:25]):[C:7]([H:26]):[C:8]([H:27]):[C:9]([H:28]):[C:10]:1[H:29])([H:30])[H:31])[H:38])([H:36])[H:37])=[O:14])[H:39]