EVODEX.1-P3753

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:9][C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:39])([H:40])[H:41])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([C:8]([H:24])([H:25])[H:26])[H:28].[O:10]=[N+:11]([O-:12])[C:13]1:[C:14]([H:42]):[C:15]([H:43]):[C:16]([O:17][S:18](=[O:19])(=[O:20])[O:21][H:44]):[C:22]([H:45]):[C:23]:1[H:46]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([H:24])([H:25])[H:26])([O:9][S:18](=[O:19])(=[O:20])[O:21][H:44])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41].[H][O:17][C:16]1:[C:15]([H:43]):[C:14]([H:42]):[C:13]([N+:11](=[O:10])[O-:12]):[C:23]([H:46]):[C:22]:1[H:45]

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-R4604

Full Reaction Rendering

[H][O:9][C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:39])([H:40])[H:41])([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([C:8]([H:24])([H:25])[H:26])[H:28].[O:10]=[N+:11]([O-:12])[C:13]1:[C:14]([H:42]):[C:15]([H:43]):[C:16]([O:17][S:18](=[O:19])(=[O:20])[O:21][H:44]):[C:22]([H:45]):[C:23]:1[H:46]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([H:24])([H:25])[H:26])([O:9][S:18](=[O:19])(=[O:20])[O:21][H:44])[H:28])([H:29])[H:30])([H:31])[H:32])([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])([H:40])[H:41].[H][O:17][C:16]1:[C:15]([H:43]):[C:14]([H:42]):[C:13]([N+:11](=[O:10])[O-:12]):[C:23]([H:46]):[C:22]:1[H:45]