EVODEX.1-P5205

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:23]([C@@:22]([C:21]([C:20]([C:18]([O:17][C:16]([C:15]([H:43])([H:44])[H:45])([H:41])[H:42])=[O:19])([H:39])[H:40])([H:37])[H:38])([C:24](=[O:25])[O:26][C:27]([C:28]([H:31])([H:32])[H:33])([H:34])[H:35])[H:36])[H:29].[C:1]([C:2]([O:3][C:4](=[O:5])[C:6]([C:7]([C@:8]([N:9]([H:46])[H:47])([C:10](=[O:11])[O:12][C:13]([C:14]([H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])([H:61])[H:62]>>[C:4](=[O:5])([C:6]([C:7]([C@:8]([N:9]([H:46])[H:47])([C:10](=[O:11])[O:12][C:13]([C:14]([H:48])([H:49])[H:50])([H:51])[H:52])[H:53])([H:54])[H:55])([H:56])[H:57])[N:23]([C@@:22]([C:21]([C:20]([C:18]([O:17][C:16]([C:15]([H:43])([H:44])[H:45])([H:41])[H:42])=[O:19])([H:39])[H:40])([H:37])[H:38])([C:24](=[O:25])[O:26][C:27]([C:28]([H:31])([H:32])[H:33])([H:34])[H:35])[H:36])[H:29].[H][O:3][C:2]([C:1]([H:60])([H:61])[H:62])([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-R5966

Full Reaction Rendering

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