EVODEX.1-P3731

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42].[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:43]):[C:6]([H:44]):[C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:45]):[C:13]([H:46]):[C:14]:1[H:47]>>[H][O:8][C:7]1:[C:6]([H:44]):[C:5]([H:43]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:47]):[C:13]:1[H:46].[S:9](=[O:10])(=[O:11])([O:12][H:45])[O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42]

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-R4557

Full Reaction Rendering

[H][O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42].[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:43]):[C:6]([H:44]):[C:7]([O:8][S:9](=[O:10])(=[O:11])[O:12][H:45]):[C:13]([H:46]):[C:14]:1[H:47]>>[H][O:8][C:7]1:[C:6]([H:44]):[C:5]([H:43]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:47]):[C:13]:1[H:46].[S:9](=[O:10])(=[O:11])([O:12][H:45])[O:30][C:29]1:[C:28]([H:40]):[C:27]([H:39]):[C:26]2:[O:25]:[C:18]([C:19]3:[C:20]([H:34]):[C:21]([H:35]):[C:22]([H:36]):[C:23]([H:37]):[C:24]:3[H:38]):[C:17]([H:33]):[C:16](=[O:15]):[C:32]:2:[C:31]:1[H:42]