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EVODEX.1-P1084

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:29])[O:11][H:30])([H:31])[H:32]):[C:4]([H:28]):[N:3]:[C:2]([C:1]([H:47])([H:48])[H:49]):[C:23]:1[O:24][H:46])([N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([C:20](=[O:21])[O:22][H:41])[H:42])[H:43])[H:44].[O:26]=[O:27]>>O=[C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:29])[O:11][H:30])([H:31])[H:32]):[C:4]([H:28]):[N:3]:[C:2]([C:1]([H:47])([H:48])[H:49]):[C:23]:1[O:24][H:46])[H:44].[H][N:14]([C@@:15]([C:16]([C:17]([C:18]([N:19]([H:33])[H:34])([H:35])[H:36])([H:37])[H:38])([H:39])[H:40])([C:20](=[O:21])[O:22][H:41])[H:42])[H:43].[H][O:26][O:27][H]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E382 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:1]-[#6:2](-[#7:3](-[#6:4])-[H:28])(-[H:29])-[H].[#8:14]=[#8:15]>>[#6:1]-[#6:2](=[#8])-[H:29].[#7:3](-[#6:4])(-[H:28])-[H].[#8:14](-[#8:15]-[H])-[H]

EVODEX.1-C28 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]

EVODEX.1-N255 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:7](-[#7:6](-[#6:5])-[H:22])(-[#6:8])-[H:20].[#8:12]=[#8:13]>>[#8]=[#6:7](-[#6:8])-[H:20].[H]-[#7:6](-[#6:5])-[H:22].[H]-[#8:12]-[#8:13]-[H]

EVODEX.1-Em377 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm67 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]

EVODEX.1-Nm337 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R1024

Full Reaction Rendering

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