SMIRKS
[H][O:37][P:38]([O:39][H:67])([O:40][H:68])=[S:41]>>[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:37][P:38]([O:39][H:67])([O:40][H:68])=[S:41]
Derived Operators
EVODEX.1-F116 - Elemental Balance
| P | 1 |
| O | 6 |
| C | 10 |
| N | 5 |
| H | 12 |
EVODEX.1-M34 - Mass Difference
329.05266
EVODEX.1-E733 - Reaction Operator E
[#15:15]-[#8:17]-[H]>>[#15:15]-[#8:17]-[#15](-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7]:[#6](-[#7](-[H])-[H]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H])(=[#8])-[#8]-[H]
EVODEX.1-C128 - Reaction Operator C
[H]-[#8:27]>>[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])-[#8:27]
EVODEX.1-N576 - Reaction Operator N
[H]-[#8:27]-[#15:25]>>[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])-[#8:27]-[#15:25]
EVODEX.1-Em28 - Reaction Operator Em
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
EVODEX.1-Nm28 - Reaction Operator Nm
[H]-[#8:27]-[#15:25]>>[#8]-[#15](=[#8])(-[#8])-[#8:27]-[#15:25]
Source Full Reactions
EVODEX.1-R4028
[C:1]([C@@:2]([O:3][H:42])([C:4]([C:5]([O:6][P:7](=[O:8])([O:9][H:43])[O:10][P:11](=[O:12])([O:13][H:44])[O:14][C:15]([C@:16]1([H:45])[O:17][C@@:18]([N:19]2:[C:20]([H:46]):[N:21]:[C:22]3:[C:23]([N:24]([H:47])[H:48]):[N:25]:[C:26]([H:49]):[N:27]:[C:28]:2:3)([H:50])[C@:29]([O:30][H:51])([H:52])[C@:31]1([O:32][H:53])[H:54])([H:55])[H:56])([H:57])[H:58])([H:59])[H:60])[C:33]([C:34](=[O:35])[O:36][H:61])([H:62])[H:63])([H:64])([H:65])[H:66].[H][O:37][P:38]([O:39][H:67])([O:40][H:68])=[S:41]>>[H][O:10][P:7]([O:6][C:5]([C:4]([C@@:2]([C:1]([H:64])([H:65])[H:66])([O:3][H:42])[C:33]([C:34](=[O:35])[O:36][H:61])([H:62])[H:63])([H:59])[H:60])([H:57])[H:58])(=[O:8])[O:9][H:43].[P:11](=[O:12])([O:13][H:44])([O:14][C:15]([C@@:16]1([H:45])[O:17][C@:18]([N:19]2:[C:20]([H:46]):[N:21]:[C:22]3:[C:23]([N:24]([H:47])[H:48]):[N:25]:[C:26]([H:49]):[N:27]:[C:28]:2:3)([H:50])[C@@:29]([O:30][H:51])([H:52])[C@@:31]1([O:32][H:53])[H:54])([H:55])[H:56])[O:37][P:38]([O:39][H:67])([O:40][H:68])=[S:41]