EVODEX.1-P3461

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:10][C:9]([C@:8]1([H:38])[C:7]([H:34])=[C:6]([H:33])[C@@:5]([N:4]2:[C:3]([H:31]):[C:2]([C:1]([H:40])([H:41])[H:42]):[C:15](=[O:16]):[N:14]([H:39]):[C:12]:2=[O:13])([H:32])[O:11]1)([H:36])[H:37].[O:17]=[N+:18]([O-:19])[C:20]1:[C:21]([H:43]):[C:22]([H:44]):[C:23]([O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46]):[C:29]([H:47]):[C:30]:1[H:48]>>[C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@@:5]2([H:32])[C:6]([H:33])=[C:7]([H:34])[C@:8]([C:9]([O:10][P:25](=[O:26])([O:27][H:45])[O:28][H:46])([H:36])[H:37])([H:38])[O:11]2):[C:12](=[O:13]):[N:14]([H:39]):[C:15]:1=[O:16])([H:40])([H:41])[H:42].[H][O:24][C:23]1:[C:22]([H:44]):[C:21]([H:43]):[C:20]([N+:18](=[O:17])[O-:19]):[C:30]([H:48]):[C:29]:1[H:47]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E244 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:18](-[#6@:17])-[H].[#8:21]=[#15:22](-[#8:23])(-[#8:24])-[#8:25]-[#6@@:26]>>[#8:18](-[#6@:17])-[#15:22](=[#8:21])(-[#8:23])-[#8:24].[#8:25](-[#6@@:26])-[H]

EVODEX.1-C25 - Reaction Operator C

Reaction Operator C SMIRKS

[#15:14]-[#8:17].[H]-[#8:56]>>[#15:14]-[#8:56].[H]-[#8:17]

EVODEX.1-N99 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:28]-[#6:29].[H]-[#8:58]-[#6:57]>>[#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:58]-[#6:57].[H]-[#8:28]-[#6:29]

EVODEX.1-Em66 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6:18].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18]

EVODEX.1-Cm13 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:21].[#15:45]-[#8:48]>>[#8:21]-[#15:45].[H]-[#8:48]

EVODEX.1-Nm79 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#8:13]=[#15:14](-[#8:15])(-[#8:16])-[#8:17]-[#6:18].[H]-[#8:12]-[#6:11]>>[#6:11]-[#8:12]-[#15:14](=[#8:13])(-[#8:15])-[#8:16].[H]-[#8:17]-[#6:18]

Source Full Reactions

EVODEX.1-R4146

Full Reaction Rendering

[H][O:10][C:9]([C@:8]1([H:38])[C:7]([H:34])=[C:6]([H:33])[C@@:5]([N:4]2:[C:3]([H:31]):[C:2]([C:1]([H:40])([H:41])[H:42]):[C:15](=[O:16]):[N:14]([H:39]):[C:12]:2=[O:13])([H:32])[O:11]1)([H:36])[H:37].[O:17]=[N+:18]([O-:19])[C:20]1:[C:21]([H:43]):[C:22]([H:44]):[C:23]([O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46]):[C:29]([H:47]):[C:30]:1[H:48]>>[C:1]([C:2]1:[C:3]([H:31]):[N:4]([C@@:5]2([H:32])[C:6]([H:33])=[C:7]([H:34])[C@:8]([C:9]([O:10][P:25](=[O:26])([O:27][H:45])[O:28][H:46])([H:36])[H:37])([H:38])[O:11]2):[C:12](=[O:13]):[N:14]([H:39]):[C:15]:1=[O:16])([H:40])([H:41])[H:42].[H][O:24][C:23]1:[C:22]([H:44]):[C:21]([H:43]):[C:20]([N+:18](=[O:17])[O-:19]):[C:30]([H:48]):[C:29]:1[H:47]