EVODEX.1-P2563 - Partial Reaction

SMIRKS

[H]OP(=O)(O[H])OP(=O)(O[H])O[C:6]([C:5](=[C:3]([C:2]([C:1]([H:40])([H:41])[H:42])([H:38])[H:39])[C:4]([H:29])([H:30])[H:31])[H:37])([H:35])[H:36]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[C:6]([C:5](=[C:3]([C:2]([C:1]([H:40])([H:41])[H:42])([H:38])[H:39])[C:4]([H:29])([H:30])[H:31])[H:37])([H:35])[H:36]

Derived Operators

EVODEX.1-F415 - Elemental Balance

P	-2
O	-4
C	9
N	1
H	7

EVODEX.1-M404 - Mass Difference

3.1307100000000005

EVODEX.1-E1223 - Reaction Operator E

[#6:2]-[#6:3](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])(-[H:29])-[H:30]>>[#6:2]-[#6:3](-[#6]1:[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6]:1-[H])(-[H:29])-[H:30]

EVODEX.1-C399 - Reaction Operator C

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:4]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[#6:4]

EVODEX.1-N479 - Reaction Operator N

[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6:4](-[#6:2])(-[H:30])-[H:31]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#8]-[H]):[#6](-[H]):[#6]:1-[#6:4](-[#6:2])(-[H:30])-[H:31]

EVODEX.1-Em515 - Reaction Operator Em

nan

EVODEX.1-Cm147 - Reaction Operator Cm

[#8]-[#6:39]>>[#6]-[#6:39]

EVODEX.1-Nm466 - Reaction Operator Nm

nan

Source Full Reactions

EVODEX.1-R3303

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