EVODEX.1-P6207

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E117 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1](-[#7:2])(-[H:14])(-[H:15])-[H].[#8:5]=[#6:6](-[#6:7])-[H:22]>>[#6:1](-[#7:2])(-[#6@@:6](-[#8:5]-[H])(-[#6:7])-[H:22])(-[H:14])-[H:15]

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-N918 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:1](-[#7:2])(-[H:12])-[H:13].[#8:5]=[#6:6](-[#6:7])-[H:18]>>[H]-[#8:5]-[#6@@:6](-[#6:1](-[#7:2])(-[H:12])-[H:13])(-[#6:7])-[H:18]

EVODEX.1-Em727 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:1]-[#7:2].[#8:5]=[#6:6]-[#6:7]>>[H]-[#8:5]-[#6:6](-[#6:1]-[#7:2])-[#6:7]

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-Nm656 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:1]-[#7:2].[#8:5]=[#6:6]-[#6:7]>>[H]-[#8:5]-[#6:6](-[#6:1]-[#7:2])-[#6:7]

Source Full Reactions

EVODEX.1-R6813

Full Reaction Rendering

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