EVODEX.1-P2565 - Partial Reaction

SMIRKS

[H]OP(=O)(O[H])OP(=O)(O[H])O[C:23]([C:24](=[C:25]([C:26]1:[C:27]([H:46]):[C:28]([H:47]):[C:29]([H:48]):[C:30]([H:49]):[C:31]:1[H:50])[H:51])[H:52])([H:53])[H:54]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C1:C([H]):C([H]):C(O[H]):C([H]):C:1[C:23]([C:24](=[C:25]([C:26]1:[C:27]([H:46]):[C:28]([H:47]):[C:29]([H:48]):[C:30]([H:49]):[C:31]:1[H:50])[H:51])[H:52])([H:53])[H:54]

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-R3305

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