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EVODEX.1-P1088

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]OC1:C(C([H])([H])[H]):N:C([H]):C(C([H])([H])OP(=O)(O[H])O[H]):C:1C([H])([H])[N:14]([C:15]([C:16]([N:17]([C:18]1:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]2:[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]:1:2)[H:45])([H:46])[H:47])([H:48])[H:49])[H:50]>>[H][N:14]([C:15]([C:16]([N:17]([C:18]1:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]2:[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]:1:2)[H:45])([H:46])[H:47])([H:48])[H:49])[H:50]

Derived Operators

EVODEX.1-F259 - Elemental Balance

P-1
C-8
O-5
N-1
H-10

EVODEX.1-M309 - Mass Difference

-231.0297

EVODEX.1-E987 - Reaction Operator E

Reaction Operator E SMIRKS

[#6](-[#6]1:[#7]:[#6](-[H]):[#6](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H])-[H]):[#6](-[#6](-[#7:14](-[#6:15])-[H:36])(-[H])-[H]):[#6]:1-[#8]-[H])(-[H])(-[H])-[H]>>[#7:14](-[#6:15])(-[H:36])-[H]

EVODEX.1-C244 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6]1:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:14]>>[H]-[#7:14]

EVODEX.1-N252 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6]1:[#6](-[#6](-[H])(-[H])-[H]):[#7]:[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H]):[#6]:1-[#6](-[H])(-[H])-[#7:14](-[#6:15])-[H:36]>>[H]-[#7:14](-[#6:15])-[H:36]

EVODEX.1-Em374 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[H])-[#7:14]-[#6:15]>>[H]-[#7:14]-[#6:15]

EVODEX.1-Cm1 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm334 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[H])-[#7:14]-[#6:15]>>[H]-[#7:14]-[#6:15]

Source Full Reactions

EVODEX.1-R1026

Full Reaction Rendering

[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:34])[O:11][H:35])([H:36])[H:37]):[C:4]([H:33]):[N:3]:[C:2]([C:1]([H:54])([H:55])[H:56]):[C:28]:1[O:29][H:53])([N:14]([C:15]([C:16]([N:17]([C:18]1:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]2:[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]:1:2)[H:45])([H:46])[H:47])([H:48])[H:49])[H:50])[H:51].[O:31]=[O:32].[H][O:30][H]>>[C:1]([C:2]1:[N:3]:[C:4]([H:33]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:34])[O:11][H:35])([H:36])[H:37]):[C:12]([C:13](=[O:30])[H:51]):[C:28]:1[O:29][H:53])([H:54])([H:55])[H:56].[H][N:14]([C:15]([C:16]([N:17]([C:18]1:[C:19]([H:38]):[C:20]([H:39]):[C:21]([H:40]):[C:22]2:[C:23]([H:41]):[C:24]([H:42]):[C:25]([H:43]):[C:26]([H:44]):[C:27]:1:2)[H:45])([H:46])[H:47])([H:48])[H:49])[H:50].[H][O:31][O:32][H]