SMIRKS
[H]O[C@@]1([H])C([H])([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])OP(=O)(O[H])O[P:26](=[O:27])([O:28][H:52])[O:29][H:53].[H][O:31][C:32]([C@@:33]1([H:59])[O:34][C:35]([O:36][H:60])([C:37]([O:38][H:61])([H:62])[H:63])[C@:39]([O:40][H:64])([H:65])[C@@:41]1([O:42][H:66])[H:67])([H:68])[H:69]>>[P:26](=[O:27])([O:28][H:52])([O:29][H:53])[O:31][C:32]([C@@:33]1([H:59])[O:34][C:35]([O:36][H:60])([C:37]([O:38][H:61])([H:62])[H:63])[C@:39]([O:40][H:64])([H:65])[C@@:41]1([O:42][H:66])[H:67])([H:68])[H:69]
Derived Operators
EVODEX.1-F387 - Elemental Balance
| P | -2 |
| O | -9 |
| C | -10 |
| N | -5 |
| H | -15 |
EVODEX.1-M155 - Mass Difference
-411.03465
EVODEX.1-E1187 - Reaction Operator E
[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@@]1(-[H])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:68](=[#8:69])(-[#8:70])-[#8:71])(-[H])-[H])(-[H])-[#8]-1)(-[H])-[H].[#6:14]-[#8:15]-[H]>>[#6:14]-[#8:15]-[#15:68](=[#8:69])(-[#8:70])-[#8:71]
EVODEX.1-C984 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[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](=[#8])(-[#8]-[H])-[#8]-[#15:26].[H]-[#8:33]>>[#15:26]-[#8:33]
EVODEX.1-N1331 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6](-[H])(-[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](=[#8])(-[#8]-[H])-[#8]-[#15:26](=[#8:27])(-[#8:28])-[#8:29].[H]-[#8:31]-[#6:32]>>[#15:26](=[#8:27])(-[#8:28])(-[#8:29])-[#8:31]-[#6:32]
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-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-R4033
[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@@:11]1([H:45])[C:12]([H:46])([H:47])[C@@:13]([O:14][H:48])([H:49])[C@:15]([C:16]([O:17][P:18](=[O:19])([O:20][H:50])[O:21][P:22](=[O:23])([O:24][H:51])[O:25][P:26](=[O:27])([O:28][H:52])[O:29][H:53])([H:54])[H:55])([H:56])[O:30]1)([H:57])[H:58].[H][O:31][C:32]([C@@:33]1([H:59])[O:34][C:35]([O:36][H:60])([C:37]([O:38][H:61])([H:62])[H:63])[C@:39]([O:40][H:64])([H:65])[C@@:41]1([O:42][H:66])[H:67])([H:68])[H:69]>>[H][O:25][P:22]([O:21][P:18]([O:17][C:16]([C@:15]1([H:56])[C@:13]([O:14][H:48])([H:49])[C:12]([H:46])([H:47])[C@@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:57])[H:58]):[C:7]:3:[N:8]:[C:9]:2[H:44])([H:45])[O:30]1)([H:54])[H:55])(=[O:19])[O:20][H:50])(=[O:23])[O:24][H:51].[P:26](=[O:27])([O:28][H:52])([O:29][H:53])[O:31][C:32]([C@@:33]1([H:59])[O:34][C:35]([O:36][H:60])([C:37]([O:38][H:61])([H:62])[H:63])[C@:39]([O:40][H:64])([H:65])[C@@:41]1([O:42][H:66])[H:67])([H:68])[H:69]