EVODEX.1-P5967 - Partial Reaction

SMIRKS

[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:11]([O:10][C:9]([C@:8]1([H:60])[C@:6]([O:7][H:42])([H:43])[C@:5]([O:4][C:2]([C:1]([H:63])([H:64])[H:65])=[O:3])([H:41])[C@@:38]([O:39][H:61])([H:62])[O:37]1)([H:58])[H:59])(=[O:12])[O:13][H:44].[H][O:40][H:66]>>[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:41])[C@@:6]([O:7][H:42])([H:43])[C@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:44])[O:40][H:66])([H:58])[H:59])([H:60])[O:37][C@:38]1([O:39][H:61])[H:62])([H:63])([H:64])[H:65]

Derived Operators

EVODEX.1-F113 - Elemental Balance

P	-1
O	-7
C	-10
N	-5
H	-14

EVODEX.1-M24 - Mass Difference

-347.06321999999994

EVODEX.1-E721 - Reaction Operator E

[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6]1(-[H])-[#8]-[#6](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6](-[#8]-[H])(-[H])-[#6]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:45](-[H:74])-[H]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:45]-[H:74]

EVODEX.1-C1443 - Reaction Operator C

EVODEX.1-N1844 - Reaction Operator N

([H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:11](-[#8:10])(=[#8:12])-[#8:13].[#8:7]-[#6@@:6]1(-[#6@:8]-[#8:37]-[#6@:38](-[#6@:5]-1)(-[#8:39])-[H:62])-[H:43]).[H]-[#8:40]-[H:66]>>([#8:7]-[#6@:6]1(-[#6@:5]-[#6@@:38](-[#8:37]-[#6@:8]-1)(-[#8:39])-[H:62])-[H:43].[#8:10]-[#15:11](=[#8:12])(-[#8:13])-[#8:40]-[H:66])

EVODEX.1-Em62 - Reaction Operator Em

[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]

EVODEX.1-Cm9 - Reaction Operator Cm

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

EVODEX.1-Nm74 - Reaction Operator Nm

[#15]-[#8]-[#15:19](-[#8:18])(=[#8:20])-[#8:21].[H]-[#8:33]>>[#8:18]-[#15:19](=[#8:20])(-[#8:21])-[#8:33]

Source Full Reactions

EVODEX.1-R6612

[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:41])[C@@:6]([O:7][H:42])([H:43])[C@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:44])[O:14][P:15](=[O:16])([O:17][H:45])[O:18][C:19]([C@@:20]2([H:46])[O:21][C@:22]([N:23]3:[C:24]([H:47]):[N:25]:[C:26]4:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:3:4)([H:51])[C@@:33]([O:34][H:52])([H:53])[C@@:35]2([O:36][H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[O:37][C@:38]1([O:39][H:61])[H:62])([H:63])([H:64])[H:65].[H][O:40][H:66]>>[C:1]([C:2](=[O:3])[O:4][C@:5]1([H:41])[C@@:6]([O:7][H:42])([H:43])[C@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:44])[O:40][H:66])([H:58])[H:59])([H:60])[O:37][C@:38]1([O:39][H:61])[H:62])([H:63])([H:64])[H:65].[H][O:14][P:15](=[O:16])([O:17][H:45])[O:18][C:19]([C@@:20]1([H:46])[O:21][C@:22]([N:23]2:[C:24]([H:47]):[N:25]:[C:26]3:[C:27]([N:28]([H:48])[H:49]):[N:29]:[C:30]([H:50]):[N:31]:[C:32]:2:3)([H:51])[C@@:33]([O:34][H:52])([H:53])[C@@:35]1([O:36][H:54])[H:55])([H:56])[H:57]