EVODEX.1-P1348

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][N:11]([C:10]([C:9]([C:8]([C@@:6]([C:4]([N:3]([C@@:2]([C:1]([H:63])([H:64])[H:65])([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]([C:18]([C:19]([N:20]([C:21](=[N:22][H:47])[N:23]([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([C:24](=[O:25])[O:26][H:59])[H:60])[H:61])[H:62])[H:46])=[O:5])([N:7]([H:35])[H:36])[H:45])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])[H:37].[N:27]([C:28](=[O:29])[O:30][P:31](=[O:32])([O:33][H:66])[O:34][H:67])([H:68])[H:69]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:35])[H:36])([C:8]([C:9]([C:10]([N:11]([C:28]([N:27]([H:68])[H:69])=[O:29])[H:37])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]([C:18]([C:19]([N:20]([C:21](=[N:22][H:47])[N:23]([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([C:24](=[O:25])[O:26][H:59])[H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:30][P:31](=[O:32])([O:33][H:66])[O:34][H:67]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E229 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:1]-[#6:2](=[#8:3])-[#8:4]-[#15:5].[#7:9](-[#6:10])(-[H:26])-[H]>>[#7:1]-[#6:2](=[#8:3])-[#7:9](-[#6:10])-[H:26].[#8:4](-[#15:5])-[H]

EVODEX.1-C959 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#7:11].[#6@:5]).[#6:18]-[#8:20]>>([#7:11]-[#6:18].[#6@@:5]).[H]-[#8:20]

EVODEX.1-N1302 - Reaction Operator N

Reaction Operator N SMIRKS

([H]-[#7:11](-[#6:10])-[H:37].[#7:3]-[#6@@:2](-[#6:1])(-[#6:12])-[H:62]).[#7:27]-[#6:28](=[#8:29])-[#8:30]-[#15:31]>>([#6:1]-[#6@:2](-[#7:3])(-[#6:12])-[H:62].[#6:10]-[#7:11](-[#6:28](-[#7:27])=[#8:29])-[H:37]).[H]-[#8:30]-[#15:31]

EVODEX.1-Em411 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#7:1]-[#6:2](=[#8:3])-[#8:4]-[#15:5].[H]-[#7:9]-[#6:10]>>[#7:1]-[#6:2](=[#8:3])-[#7:9]-[#6:10].[H]-[#8:4]-[#15:5]

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-Nm371 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#7:1]-[#6:2](=[#8:3])-[#8:4]-[#15:5].[H]-[#7:9]-[#6:10]>>[#7:1]-[#6:2](=[#8:3])-[#7:9]-[#6:10].[H]-[#8:4]-[#15:5]

Source Full Reactions

EVODEX.1-R1867

Full Reaction Rendering

[H][N:11]([C:10]([C:9]([C:8]([C@@:6]([C:4]([N:3]([C@@:2]([C:1]([H:63])([H:64])[H:65])([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]([C:18]([C:19]([N:20]([C:21](=[N:22][H:47])[N:23]([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([C:24](=[O:25])[O:26][H:59])[H:60])[H:61])[H:62])[H:46])=[O:5])([N:7]([H:35])[H:36])[H:45])([H:43])[H:44])([H:41])[H:42])([H:39])[H:40])[H:37].[N:27]([C:28](=[O:29])[O:30][P:31](=[O:32])([O:33][H:66])[O:34][H:67])([H:68])[H:69]>>[C:1]([C@:2]([N:3]([C:4](=[O:5])[C@@:6]([N:7]([H:35])[H:36])([C:8]([C:9]([C:10]([N:11]([C:28]([N:27]([H:68])[H:69])=[O:29])[H:37])([H:39])[H:40])([H:41])[H:42])([H:43])[H:44])[H:45])[H:46])([C:12](=[O:13])[N:14]([C@@:15]([C:16]([C:17]([C:18]([C:19]([N:20]([C:21](=[N:22][H:47])[N:23]([H:48])[H:49])[H:50])([H:51])[H:52])([H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([C:24](=[O:25])[O:26][H:59])[H:60])[H:61])[H:62])([H:63])([H:64])[H:65].[H][O:30][P:31](=[O:32])([O:33][H:66])[O:34][H:67]