EVODEX.1-P3452

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:24][C:23]([C@@:22]1([H:38])[O:21][C@:20]([N:19]2:[C:18]([H:33]):[C:17]([H:32]):[C:16](=[O:15]):[N:31]([H:43]):[C:29]:2=[S:30])([H:34])[C@@:27]([O:28][H:41])([H:42])[C@@:25]1([O:26][H:39])[H:40])([H:36])[H:37].[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:44]):[C:6]([H:45]):[C:7]([O:8][P:9](=[O:10])([O:11][H:46])[O:12][H:47]):[C:13]([H:48]):[C:14]:1[H:49]>>[H][O:8][C:7]1:[C:6]([H:45]):[C:5]([H:44]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:49]):[C:13]:1[H:48].[P:9](=[O:10])([O:11][H:46])([O:12][H:47])[O:24][C:23]([C@@:22]1([H:38])[O:21][C@:20]([N:19]2:[C:18]([H:33]):[C:17]([H:32]):[C:16](=[O:15]):[N:31]([H:43]):[C:29]:2=[S:30])([H:34])[C@@:27]([O:28][H:41])([H:42])[C@@:25]1([O:26][H:39])[H:40])([H:36])[H:37]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

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-R4137

Full Reaction Rendering

[H][O:24][C:23]([C@@:22]1([H:38])[O:21][C@:20]([N:19]2:[C:18]([H:33]):[C:17]([H:32]):[C:16](=[O:15]):[N:31]([H:43]):[C:29]:2=[S:30])([H:34])[C@@:27]([O:28][H:41])([H:42])[C@@:25]1([O:26][H:39])[H:40])([H:36])[H:37].[O:1]=[N+:2]([O-:3])[C:4]1:[C:5]([H:44]):[C:6]([H:45]):[C:7]([O:8][P:9](=[O:10])([O:11][H:46])[O:12][H:47]):[C:13]([H:48]):[C:14]:1[H:49]>>[H][O:8][C:7]1:[C:6]([H:45]):[C:5]([H:44]):[C:4]([N+:2](=[O:1])[O-:3]):[C:14]([H:49]):[C:13]:1[H:48].[P:9](=[O:10])([O:11][H:46])([O:12][H:47])[O:24][C:23]([C@@:22]1([H:38])[O:21][C@:20]([N:19]2:[C:18]([H:33]):[C:17]([H:32]):[C:16](=[O:15]):[N:31]([H:43]):[C:29]:2=[S:30])([H:34])[C@@:27]([O:28][H:41])([H:42])[C@@:25]1([O:26][H:39])[H:40])([H:36])[H:37]