EVODEX.1-P4698

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:20]([C@:19]([C:17]([C:16]([H:45])([H:46])[H:47])([C:18]([H:31])([H:32])[H:33])[H:44])([C:21](=[O:22])[O:23][C:24]([C:25]1:[C:26]([H:36]):[C:27]([H:37]):[C:28]([H:38]):[C:29]([H:39]):[C:30]:1[H:40])([H:41])[H:42])[H:43])[H:34].[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C@@:4]([N:5]([H:51])[H:52])([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:53]):[C:12]([H:54]):[C:13]([H:55]):[C:14]([H:56]):[C:15]:1[H:57])([H:58])[H:59])[H:60])[H:61])([H:62])([H:63])[H:64]>>[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C@@:4]([N:5]([H:51])[H:52])([C:6](=[O:7])[N:20]([C@:19]([C:17]([C:16]([H:45])([H:46])[H:47])([C:18]([H:31])([H:32])[H:33])[H:44])([C:21](=[O:22])[O:23][C:24]([C:25]1:[C:26]([H:36]):[C:27]([H:37]):[C:28]([H:38]):[C:29]([H:39]):[C:30]:1[H:40])([H:41])[H:42])[H:43])[H:34])[H:60])[H:61])([H:62])([H:63])[H:64].[H][O:8][C:9]([C:10]1:[C:11]([H:53]):[C:12]([H:54]):[C:13]([H:55]):[C:14]([H:56]):[C:15]:1[H:57])([H:58])[H:59]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E275 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:4]-[#6@:5](-[#7:6](-[H:42])-[H])(-[#6:7])-[H:47].[#6:16]-[#8:17]-[#6:18](=[#8:19])-[#6@:20]>>[#6:4]-[#6:5](-[#7:6](-[#6:18](=[#8:19])-[#6@:20])-[H:42])(-[#6:7])-[H:47].[#6:16]-[#8:17]-[H]

EVODEX.1-C10 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N85 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:1]-[#8:2]-[#6:3](=[#8:4])-[#6:5].[H]-[#7:12](-[#6@@:13])-[H:43]>>[#6:3](=[#8:4])(-[#6:5])-[#7:12](-[#6@@:13])-[H:43].[H]-[#8:2]-[#6:1]

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-R5517

Full Reaction Rendering

[H][N:20]([C@:19]([C:17]([C:16]([H:45])([H:46])[H:47])([C:18]([H:31])([H:32])[H:33])[H:44])([C:21](=[O:22])[O:23][C:24]([C:25]1:[C:26]([H:36]):[C:27]([H:37]):[C:28]([H:38]):[C:29]([H:39]):[C:30]:1[H:40])([H:41])[H:42])[H:43])[H:34].[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C@@:4]([N:5]([H:51])[H:52])([C:6](=[O:7])[O:8][C:9]([C:10]1:[C:11]([H:53]):[C:12]([H:54]):[C:13]([H:55]):[C:14]([H:56]):[C:15]:1[H:57])([H:58])[H:59])[H:60])[H:61])([H:62])([H:63])[H:64]>>[C:1]([C:2]([C:3]([H:48])([H:49])[H:50])([C@@:4]([N:5]([H:51])[H:52])([C:6](=[O:7])[N:20]([C@:19]([C:17]([C:16]([H:45])([H:46])[H:47])([C:18]([H:31])([H:32])[H:33])[H:44])([C:21](=[O:22])[O:23][C:24]([C:25]1:[C:26]([H:36]):[C:27]([H:37]):[C:28]([H:38]):[C:29]([H:39]):[C:30]:1[H:40])([H:41])[H:42])[H:43])[H:34])[H:60])[H:61])([H:62])([H:63])[H:64].[H][O:8][C:9]([C:10]1:[C:11]([H:53]):[C:12]([H:54]):[C:13]([H:55]):[C:14]([H:56]):[C:15]:1[H:57])([H:58])[H:59]