EVODEX.1-P3488 - Partial Reaction

SMIRKS

[H][O:6][C:4]([C:2]([C:1]([H:41])([H:42])[H:43])([C:3]([H:36])([H:37])[H:38])[H:40])=[O:5].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:25](=[O:26])([O:27][H:49])[O:28][H:50]>>[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4](=[O:5])[O:6][P:25](=[O:26])([O:27][H:49])[O:28][H:50])[H:40])([H:41])([H:42])[H:43]

Derived Operators

EVODEX.1-F401 - Elemental Balance

P	-2
O	-11
C	-9
N	-3
H	-15

EVODEX.1-M394 - Mass Difference

-403.01825

EVODEX.1-E1207 - Reaction Operator E

[#7](-[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19](=[#8:20])(-[#8:21])-[#8:22])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1)(-[H])-[H].[#6:31]-[#8:32]-[H]>>[#15:19](=[#8:20])(-[#8:21])(-[#8:22])-[#8:32]-[#6:31]

EVODEX.1-C469 - Reaction Operator C

[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:19].[H]-[#8:32]>>[#15:19]-[#8:32]

EVODEX.1-N572 - Reaction Operator N

EVODEX.1-Em5 - Reaction Operator Em

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

EVODEX.1-Cm9 - Reaction Operator Cm

[H]-[#8:27].[#8]-[#15:44]>>[#8:27]-[#15:44]

EVODEX.1-Nm6 - Reaction Operator Nm

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R4178

[H][O:6][C:4]([C:2]([C:1]([H:41])([H:42])[H:43])([C:3]([H:36])([H:37])[H:38])[H:40])=[O:5].[N:7]([C:8]1:[C:9]([H:44]):[C:10]([H:45]):[N:11]([C@:12]2([H:46])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:47])[O:20][P:21](=[O:22])([O:23][H:48])[O:24][P:25](=[O:26])([O:27][H:49])[O:28][H:50])([H:51])[H:52])([H:53])[C@:29]([O:30][H:54])([H:55])[C@:31]2([O:32][H:56])[H:57]):[C:33](=[O:34]):[N:35]:1)([H:58])[H:59]>>[C:1]([C:2]([C:3]([H:36])([H:37])[H:38])([C:4](=[O:5])[O:6][P:25](=[O:26])([O:27][H:49])[O:28][H:50])[H:40])([H:41])([H:42])[H:43].[H][O:24][P:21]([O:20][P:17]([O:16][C:15]([C@@:14]1([H:53])[O:13][C@:12]([N:11]2:[C:10]([H:45]):[C:9]([H:44]):[C:8]([N:7]([H:58])[H:59]):[N:35]:[C:33]:2=[O:34])([H:46])[C@@:31]([O:32][H:56])([H:57])[C@@:29]1([O:30][H:54])[H:55])([H:51])[H:52])(=[O:18])[O:19][H:47])(=[O:22])[O:23][H:48]