EVODEX.1-P4710

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:54])([H:55])[H:56])([H:52])[H:53])([H:50])[H:51])([C:7](=[O:8])[N:9]([C:10]([C:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:37]):[C:18]([H:38]):[C:19]([H:39]):[C:20]([H:40]):[C:21]:1[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:48])[H:49])[H:35].[N:22]([C:23]([C:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:57]):[C:31]([H:58]):[C:32]([H:59]):[C:33]([H:60]):[C:34]:1[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:25]([C:24]([C:23]([N:22]([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])=[O:26])[H:35])([C:7](=[O:8])[N:9]([C:10]([C:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:37]):[C:18]([H:38]):[C:19]([H:39]):[C:20]([H:40]):[C:21]:1[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56].[H][O:27][C:28]([C:29]1:[C:30]([H:57]):[C:31]([H:58]):[C:32]([H:59]):[C:33]([H:60]):[C:34]:1[H:61])([H:62])[H:63]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E209 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:14]-[#8:15]-[#6:16](=[#8:17])-[#6@:18].[#6:12]-[#7:13](-[H:42])-[H]>>[#6:14]-[#8:15]-[H].[#6:12]-[#7:13](-[#6:16](=[#8:17])-[#6@:18])-[H:42]

EVODEX.1-C913 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:2]-[#8:4].[H]-[#7:9]-[#6@:8]>>[#6:2]-[#7:9]-[#6:8].[H]-[#8:4]

EVODEX.1-N1795 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#7:6](-[#6@@:5](-[#6:4])(-[#6:7])-[H:49])-[H:35].[#6:24]-[#6:25](=[#8:26])-[#8:27]-[#6:28]>>[#6:4]-[#6@:5](-[#7:6](-[#6:25](-[#6:24])=[#8:26])-[H:35])(-[#6:7])-[H:49].[H]-[#8:27]-[#6:28]

EVODEX.1-Em118 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

EVODEX.1-Cm34 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:2]-[#8:4].[H]-[#7:19]>>[#6:2]-[#7:19].[H]-[#8:4]

EVODEX.1-Nm152 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12]-[#6:13]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12]-[#6:13].[H]-[#8:2]-[#6:1]

Source Full Reactions

EVODEX.1-R5528

Full Reaction Rendering

[H][N:6]([C@@:5]([C:4]([C:3]([S:2][C:1]([H:54])([H:55])[H:56])([H:52])[H:53])([H:50])[H:51])([C:7](=[O:8])[N:9]([C:10]([C:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:37]):[C:18]([H:38]):[C:19]([H:39]):[C:20]([H:40]):[C:21]:1[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:48])[H:49])[H:35].[N:22]([C:23]([C:24]([C:25](=[O:26])[O:27][C:28]([C:29]1:[C:30]([H:57]):[C:31]([H:58]):[C:32]([H:59]):[C:33]([H:60]):[C:34]:1[H:61])([H:62])[H:63])([H:64])[H:65])([H:66])[H:67])([H:68])[H:69]>>[C:1]([S:2][C:3]([C:4]([C@:5]([N:6]([C:25]([C:24]([C:23]([N:22]([H:68])[H:69])([H:66])[H:67])([H:64])[H:65])=[O:26])[H:35])([C:7](=[O:8])[N:9]([C:10]([C:11]([C:12](=[O:13])[O:14][C:15]([C:16]1:[C:17]([H:37]):[C:18]([H:38]):[C:19]([H:39]):[C:20]([H:40]):[C:21]:1[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])([H:55])[H:56].[H][O:27][C:28]([C:29]1:[C:30]([H:57]):[C:31]([H:58]):[C:32]([H:59]):[C:33]([H:60]):[C:34]:1[H:61])([H:62])[H:63]