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EVODEX.1-P6521

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC(=O)[C@]([H])(O[H])[N:35]([C:33]([C@:4]([C:2]([C:1]([H:62])([H:63])[H:64])([C:3]([H:41])([H:42])[H:43])[H:61])([N:5]([C:6](=[O:7])[C@@:8]([C:9]([C:10]1:[C:11]([H:44]):[C:12]([H:45]):[C:13]([O:14][H:46]):[C:15]([H:47]):[C:16]:1[H:48])([H:49])[H:50])([N:17]([C:18]1:[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:51]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:52]):[C:29]:1[N+:30](=[O:31])[O-:32])[H:53])[H:54])[H:55])[H:60])=[O:34])[H:59]>>[H][N:35]([C:33]([C@:4]([C:2]([C:1]([H:62])([H:63])[H:64])([C:3]([H:41])([H:42])[H:43])[H:61])([N:5]([C:6](=[O:7])[C@@:8]([C:9]([C:10]1:[C:11]([H:44]):[C:12]([H:45]):[C:13]([O:14][H:46]):[C:15]([H:47]):[C:16]:1[H:48])([H:49])[H:50])([N:17]([C:18]1:[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:51]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:52]):[C:29]:1[N+:30](=[O:31])[O-:32])[H:53])[H:54])[H:55])[H:60])=[O:34])[H:59]

Derived Operators

EVODEX.1-F97 - Elemental Balance

C-2
O-3
H-2

EVODEX.1-M109 - Mass Difference

-74.00036

EVODEX.1-E682 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#7:5](-[#6](-[#8]-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H:20]>>[#6:4]-[#7:5](-[H:20])-[H]

EVODEX.1-C754 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N961 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[#8]-[H])-[#7:5](-[#6:4])-[H:20]>>[H]-[#7:5](-[#6:4])-[H:20]

EVODEX.1-Em779 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[#8])-[#7:5]-[#6:4]>>[H]-[#7:5]-[#6:4]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm700 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[#8])-[#7:5]-[#6:4]>>[H]-[#7:5]-[#6:4]

Source Full Reactions

EVODEX.1-R7101

Full Reaction Rendering

[H][O:37][C@:36]([N:35]([C:33]([C@:4]([C:2]([C:1]([H:62])([H:63])[H:64])([C:3]([H:41])([H:42])[H:43])[H:61])([N:5]([C:6](=[O:7])[C@@:8]([C:9]([C:10]1:[C:11]([H:44]):[C:12]([H:45]):[C:13]([O:14][H:46]):[C:15]([H:47]):[C:16]:1[H:48])([H:49])[H:50])([N:17]([C:18]1:[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:51]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:52]):[C:29]:1[N+:30](=[O:31])[O-:32])[H:53])[H:54])[H:55])[H:60])=[O:34])[H:59])([C:38](=[O:39])[O:40][H:57])[H:58]>>[H][N:35]([C:33]([C@:4]([C:2]([C:1]([H:62])([H:63])[H:64])([C:3]([H:41])([H:42])[H:43])[H:61])([N:5]([C:6](=[O:7])[C@@:8]([C:9]([C:10]1:[C:11]([H:44]):[C:12]([H:45]):[C:13]([O:14][H:46]):[C:15]([H:47]):[C:16]:1[H:48])([H:49])[H:50])([N:17]([C:18]1:[C:19]([N+:20](=[O:21])[O-:22]):[C:23]([H:51]):[C:24]([N+:25](=[O:26])[O-:27]):[C:28]([H:52]):[C:29]:1[N+:30](=[O:31])[O-:32])[H:53])[H:54])[H:55])[H:60])=[O:34])[H:59].[C:36](=[O:37])([C:38](=[O:39])[O:40][H:57])[H:58]