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EVODEX.1-P1078

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]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:1[H:36])([H:37])[H:38])[H:39].[O:25]=[O:26]>>[H][N:14]([C:15]([C:16]1:[C:17]([H:32]):[C:18]([H:33]):[C:19]([H:34]):[C:20]([H:35]):[C:21]:1[H:36])([H:37])[H:38])[H:39].[H][O:25][O:26][H]

Derived Operators

EVODEX.1-F260 - Elemental Balance

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

EVODEX.1-M310 - Mass Difference

-229.01403999999997

EVODEX.1-E988 - 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].[#8:24]=[#8:25]>>[#7:14](-[#6:15])(-[H:36])-[H].[#8:24](-[#8:25]-[H])-[H]

EVODEX.1-C245 - 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])-[#7:10].[#8:30]=[#8:31]>>[H]-[#7:10].[H]-[#8:30]-[#8:31]-[H]

EVODEX.1-N253 - 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])-[#7:10](-[#6:9])-[H:43].[#8:30]=[#8:31]>>[H]-[#7:10](-[#6:9])-[H:43].[H]-[#8:30]-[#8:31]-[H]

EVODEX.1-Em375 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#6](-[H])(-[H])-[#7:10]-[#6:9].[#8:30]=[#8:31]>>[H]-[#7:10]-[#6:9].[H]-[#8:30]-[#8:31]-[H]

EVODEX.1-Cm132 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm335 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#6](-[H])(-[H])-[#7:10]-[#6:9].[#8:30]=[#8:31]>>[H]-[#7:10]-[#6:9].[H]-[#8:30]-[#8:31]-[H]

Source Full Reactions

EVODEX.1-R1021

Full Reaction Rendering

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