EVODEX.1-P5014

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

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-R5795

Full Reaction Rendering

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