EVODEX.1-P4106

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C1 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-N55 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[#6:6].[H]-[#8:8]-[H:17]>>[#6:2]-[#6:3](=[#8:4])-[#8:8]-[H:17].[H]-[#8:5]-[#6:6]

EVODEX.1-Em598 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]=[#6:2]-[#6:3](=[#8:4])-[#8:5]-[#6:6].[H]-[#8:8]>>[#6:1]=[#6:2]-[#6:3](=[#8:4])-[#8:8].[H]-[#8:5]-[#6:6]

EVODEX.1-Cm2 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:5]-[#8:6].[H]-[#8:44]>>[#6:5]-[#8:44].[H]-[#8:6]

EVODEX.1-Nm149 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#8:5]-[#6:6].[H]-[#8:8]>>[#6:2]-[#6:3](=[#8:4])-[#8:8].[H]-[#8:5]-[#6:6]

Source Full Reactions

EVODEX.1-R4945

Full Reaction Rendering

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