EVODEX.1-P4104

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][H:36])([H:37])[C@@:16]([O:17][C@:18]3([H:38])[O:19][C:20]([H:39])([H:40])[C@:21]([O:22][H:41])([H:42])[C@@:23]([O:24][H:43])([H:44])[C@:25]3([O:26][H:45])[H:46])([H:47])[C@:27]2([O:28][H:48])[H:49])([H:50])[H:51])[H:52])[H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]:1[O:32][H:56])([H:57])([H:58])[H:59].[H][O:33][H:60]>>[C:1]([O:2][C:3]1:[C:4]([H:34]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:33][H:60])[H:52])[H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]:1[O:32][H:56])([H:57])([H:58])[H:59].[H][O:10][C:11]([C@:12]1([H:35])[O:13][C@:14]([O:15][H:36])([H:37])[C@@:16]([O:17][C@:18]2([H:38])[O:19][C:20]([H:39])([H:40])[C@:21]([O:22][H:41])([H:42])[C@@:23]([O:24][H:43])([H:44])[C@:25]2([O:26][H:45])[H:46])([H:47])[C@:27]1([O:28][H:48])[H:49])([H:50])[H:51]

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-R4943

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][H:36])([H:37])[C@@:16]([O:17][C@:18]3([H:38])[O:19][C:20]([H:39])([H:40])[C@:21]([O:22][H:41])([H:42])[C@@:23]([O:24][H:43])([H:44])[C@:25]3([O:26][H:45])[H:46])([H:47])[C@:27]2([O:28][H:48])[H:49])([H:50])[H:51])[H:52])[H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]:1[O:32][H:56])([H:57])([H:58])[H:59].[H][O:33][H:60]>>[C:1]([O:2][C:3]1:[C:4]([H:34]):[C:5]([C:6](=[C:7]([C:8](=[O:9])[O:33][H:60])[H:52])[H:53]):[C:29]([H:54]):[C:30]([H:55]):[C:31]:1[O:32][H:56])([H:57])([H:58])[H:59].[H][O:10][C:11]([C@:12]1([H:35])[O:13][C@:14]([O:15][H:36])([H:37])[C@@:16]([O:17][C@:18]2([H:38])[O:19][C:20]([H:39])([H:40])[C@:21]([O:22][H:41])([H:42])[C@@:23]([O:24][H:43])([H:44])[C@:25]2([O:26][H:45])[H:46])([H:47])[C@:27]1([O:28][H:48])[H:49])([H:50])[H:51]