EVODEX.1-P1076 - Partial Reaction

SMIRKS

[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]([O:17][H:31])([H:32])[H:33])([C:18](=[O:19])[O:20][H:34])[H:35])[H:36]>>[H][N:14]([C@@:15]([C:16]([O:17][H:31])([H:32])[H:33])([C:18](=[O:19])[O:20][H:34])[H:35])[H:36]

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

[#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

[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

[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

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

EVODEX.1-Cm1 - Reaction Operator Cm

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

EVODEX.1-Nm334 - Reaction Operator Nm

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

Source Full Reactions

EVODEX.1-R1019

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