SMIRKS
[N:7]([C:8]1:[C:9]([H:40]):[C:10]([H:41]):[N:11]([C@:12]2([H:42])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:43])[O:20][P:21](=[O:22])([O:23][H:44])[O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46])([H:47])[H:48])([H:49])[C@:29]([O:30][H:50])([H:51])[C@:31]2([O:32][H:52])[H:53]):[C:33](=[O:34]):[N:35]:1)([H:54])[H:55]>>[H]OC(=O)C(O[P:25](=[O:26])([O:27][H:45])[O:28][H:46])=C([H])[H].[H][O:24][P:21]([O:20][P:17]([O:16][C:15]([C@@:14]1([H:49])[O:13][C@:12]([N:11]2:[C:10]([H:41]):[C:9]([H:40]):[C:8]([N:7]([H:54])[H:55]):[N:35]:[C:33]:2=[O:34])([H:42])[C@@:31]([O:32][H:52])([H:53])[C@@:29]1([O:30][H:50])[H:51])([H:47])[H:48])(=[O:18])[O:19][H:43])(=[O:22])[O:23][H:44]
Derived Operators
EVODEX.1-F56 - Elemental Balance
| O | 3 |
| C | 3 |
| H | 4 |
EVODEX.1-M31 - Mass Difference
88.01602
EVODEX.1-E589 - Reaction Operator E
[#15:24]-[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:31]>>[#15:24]-[#8:27]-[H].[#15:28](=[#8:29])(-[#8:30])(-[#8:31])-[#8]-[#6](=[#6](-[H])-[H])-[#6](=[#8])-[#8]-[H]
EVODEX.1-C986 - Reaction Operator C
([#8:28]-[#15:29].[#6@:33]-[#6@:35])>>[H]-[#8]-[#6](=[#8])-[#6](-[#8]-[#15:29])=[#6](-[H])-[H].([H]-[#8:28].[#6@@:35]-[#6@@:33])
EVODEX.1-N1221 - Reaction Operator N
([#15:25]-[#8:28]-[#15:29](=[#8:30])(-[#8:31])-[#8:32].[#8:34]-[#6@@:33](-[#6@@:18])(-[H:54])-[#6@:35](-[#6@:16])(-[#8:36])-[H:56])>>[H]-[#8]-[#6](=[#8])-[#6](-[#8]-[#15:29](=[#8:30])(-[#8:31])-[#8:32])=[#6](-[H])-[H].([H]-[#8:28]-[#15:25].[#8:36]-[#6@:35](-[#6@:16])(-[H:56])-[#6@@:33](-[#6@@:18])(-[#8:34])-[H:54])
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R6771
[N:1]([C:2]1:[C:3]([H:39]):[C:4]([H:40]):[N:5]([C@:6]2([H:41])[O:7][C@@:8]([C:9]([O:10][P:11](=[O:12])([O:13][H:42])[O:14][P:15](=[O:16])([O:17][H:43])[O:18][P:19](=[O:20])([O:21][H:44])[O:22][H:45])([H:46])[H:47])([H:48])[C@:23]([O:24][H:49])([H:50])[C@:25]2([O:26][H:51])[H:52]):[C:27](=[O:28]):[N:29]:1)([H:53])[H:54].[H][O:32][C:31](=[O:30])[C:33]([C:34](=[O:35])[C:36](=[O:37])[O:38][H:56])([H:57])[H:58]>>[H][O:18][P:15]([O:14][P:11]([O:10][C:9]([C@@:8]1([H:48])[O:7][C@:6]([N:5]2:[C:4]([H:40]):[C:3]([H:39]):[C:2]([N:1]([H:53])[H:54]):[N:29]:[C:27]:2=[O:28])([H:41])[C@@:25]([O:26][H:51])([H:52])[C@@:23]1([O:24][H:49])[H:50])([H:46])[H:47])(=[O:12])[O:13][H:42])(=[O:16])[O:17][H:43].[O:30]=[C:31]=[O:32].[P:19](=[O:20])([O:21][H:44])([O:22][H:45])[O:35][C:34](=[C:33]([H:57])[H:58])[C:36](=[O:37])[O:38][H:56]
EVODEX.1-R4040
[H][C:1]([C:2](=[O:3])[C:4](=[O:5])[O:6][H:36])([H:37])[H:38].[N:7]([C:8]1:[C:9]([H:40]):[C:10]([H:41]):[N:11]([C@:12]2([H:42])[O:13][C@@:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:43])[O:20][P:21](=[O:22])([O:23][H:44])[O:24][P:25](=[O:26])([O:27][H:45])[O:28][H:46])([H:47])[H:48])([H:49])[C@:29]([O:30][H:50])([H:51])[C@:31]2([O:32][H:52])[H:53]):[C:33](=[O:34]):[N:35]:1)([H:54])[H:55]>>[C:1](=[C:2]([O:3][P:25](=[O:26])([O:27][H:45])[O:28][H:46])[C:4](=[O:5])[O:6][H:36])([H:37])[H:38].[H][O:24][P:21]([O:20][P:17]([O:16][C:15]([C@@:14]1([H:49])[O:13][C@:12]([N:11]2:[C:10]([H:41]):[C:9]([H:40]):[C:8]([N:7]([H:54])[H:55]):[N:35]:[C:33]:2=[O:34])([H:42])[C@@:31]([O:32][H:52])([H:53])[C@@:29]1([O:30][H:50])[H:51])([H:47])[H:48])(=[O:18])[O:19][H:43])(=[O:22])[O:23][H:44]