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EVODEX.1-P1085

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

Derived Operators

EVODEX.1-F10 - Elemental Balance

O1

EVODEX.1-M6 - Mass Difference

15.9949

EVODEX.1-E416 - Reaction Operator E

Reaction Operator E SMIRKS

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

EVODEX.1-C18 - Reaction Operator C

Reaction Operator C SMIRKS

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

EVODEX.1-N187 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:13](-[#6:12])(-[#7:14](-[#6:15])-[H:55])-[H:56]>>[#8]=[#6:13](-[#6:12])-[H:56].[H]-[#7:14](-[#6:15])-[H:55]

EVODEX.1-Em269 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:13](-[#6:12])-[#7:14]-[#6:15]>>[#8]=[#6:13]-[#6:12].[H]-[#7:14]-[#6:15]

EVODEX.1-Cm55 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm267 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:13](-[#6:12])-[#7:14]-[#6:15]>>[#8]=[#6:13]-[#6:12].[H]-[#7:14]-[#6:15]

Source Full Reactions

EVODEX.1-R1025

Full Reaction Rendering

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