EVODEX.1-P4814

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:37])[H:38])([C:8]([C:9]([C:10]([C:11]([N:12]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[H:49])[H:50])([C:13](=[O:14])[N:15]([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:51]):[C:21]([H:52]):[C:22]([H:53]):[C:23]2:[C:24]:1[C:25](=[O:26])[C:27]1:[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]([Cl:32]):[C:33]:1[C:34]2=[O:35])[H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H][O:36][H:63]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:37])[H:38])([C:8]([C:9]([C:10]([C:11]([N:12]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[H:49])[H:50])([C:13](=[O:14])[O:36][H:63])[H:59])([H:60])([H:61])[H:62].[H][N:15]([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:51]):[C:21]([H:52]):[C:22]([H:53]):[C:23]2:[C:24]:1[C:25](=[O:26])[C:27]1:[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]([Cl:32]):[C:33]:1[C:34]2=[O:35])[H:57])[H:58]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E190 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](=[#8:4])-[#7:5](-[#7:6])-[H:10].[#8:7](-[H:16])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#8:7]-[H:16].[#7:5](-[#7:6])(-[H:10])-[H]

EVODEX.1-C12 - Reaction Operator C

Reaction Operator C SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-N698 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4](-[#7:5])-[H:9].[H]-[#8:6]-[H:13]>>[#6:1]-[#6:2](=[#8:3])-[#8:6]-[H:13].[H]-[#7:4](-[#7:5])-[H:9]

EVODEX.1-Em639 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#7:5].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6].[H]-[#7:4]-[#7:5]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm574 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#6:2](=[#8:3])-[#7:4]-[#7:5].[H]-[#8:6]>>[#6:1]-[#6:2](=[#8:3])-[#8:6].[H]-[#7:4]-[#7:5]

Source Full Reactions

EVODEX.1-R5615

Full Reaction Rendering

[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:37])[H:38])([C:8]([C:9]([C:10]([C:11]([N:12]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[H:49])[H:50])([C:13](=[O:14])[N:15]([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:51]):[C:21]([H:52]):[C:22]([H:53]):[C:23]2:[C:24]:1[C:25](=[O:26])[C:27]1:[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]([Cl:32]):[C:33]:1[C:34]2=[O:35])[H:57])[H:58])[H:59])([H:60])([H:61])[H:62].[H][O:36][H:63]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:37])[H:38])([C:8]([C:9]([C:10]([C:11]([N:12]([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])([H:45])[H:46])([H:47])[H:48])[H:49])[H:50])([C:13](=[O:14])[O:36][H:63])[H:59])([H:60])([H:61])[H:62].[H][N:15]([N:16]([C:17](=[O:18])[C:19]1:[C:20]([H:51]):[C:21]([H:52]):[C:22]([H:53]):[C:23]2:[C:24]:1[C:25](=[O:26])[C:27]1:[C:28]([H:54]):[C:29]([H:55]):[C:30]([H:56]):[C:31]([Cl:32]):[C:33]:1[C:34]2=[O:35])[H:57])[H:58]