SMIRKS
[H]O[C:9]([C:8]([N:7]([H:22])[H:23])([H:20])[H:21])=[O:10]>>[H]OC(=O)[C@@]([H])(N([H])[C:9]([C:8]([N:7]([H:22])[H:23])([H:20])[H:21])=[O:10])C([H])([H])[H]
Derived Operators
EVODEX.1-F223 - Elemental Balance
| O | 1 |
| C | 3 |
| N | 1 |
| H | 5 |
EVODEX.1-M74 - Mass Difference
71.03715000000001
EVODEX.1-E939 - Reaction Operator E
[#6:42](-[#6@:40])(=[#8:43])-[#8]-[H]>>[#6:42](-[#6@:40])(=[#8:43])-[#7](-[#6@@](-[#6](-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H]
EVODEX.1-C603 - Reaction Operator C
[H]-[#8]-[#6:14]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14])-[#6](-[H])(-[H])-[H]
EVODEX.1-N760 - Reaction Operator N
[H]-[#8]-[#6:14](-[#6@:12])=[#8:15]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6:14](-[#6@:12])=[#8:15])-[#6](-[H])(-[H])-[H]
EVODEX.1-Em11 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
EVODEX.1-Nm11 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43]>>[#6]-[#7](-[H])-[#6:42](-[#6:40])=[#8:43]
Source Full Reactions
EVODEX.1-R5632
[H][N:3]([C@@:2]([C:1]([H:16])([H:17])[H:18])([C:4](=[O:5])[O:6][H:14])[H:15])[H:12].[N:7]([C:8]([C:9](=[O:10])[O:11][H:19])([H:20])[H:21])([H:22])[H:23]>>[C:1]([C@:2]([N:3]([C:9]([C:8]([N:7]([H:22])[H:23])([H:20])[H:21])=[O:10])[H:12])([C:4](=[O:5])[O:6][H:14])[H:15])([H:16])([H:17])[H:18].[H][O:11][H:19]
EVODEX.1-R7730
[H][N:3]([C@:2]([C:1]([H:47])([H:48])[H:49])([C:4](=[O:5])[O:6][H:45])[H:46])[H:43].[N:12]([C:13]1:[N:14]:[C:15]([H:50]):[N:16]:[C:17]2:[C:18]:1:[N:19]:[C:20]([H:51]):[N:21]:2[C@:22]1([H:52])[O:23][C@@:24]([C:25]([O:26][P:27](=[O:28])([O:29][H:53])[O:30][P:31](=[O:32])([O:33][H:54])[O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56])([H:57])[H:58])([H:59])[C@:39]([O:40][H:60])([H:61])[C@:41]1([O:42][H:62])[H:63])([H:64])[H:65].[N:7]([C:8]([C:9](=[O:10])[O:11][H:66])([H:67])[H:68])([H:69])[H:70]>>[C:1]([C@@:2]([N:3]([C:9]([C:8]([N:7]([H:69])[H:70])([H:67])[H:68])=[O:10])[H:43])([C:4](=[O:5])[O:6][H:45])[H:46])([H:47])([H:48])[H:49].[O:11]([P:31]([O:30][P:27]([O:26][C:25]([C@@:24]1([H:59])[O:23][C@:22]([N:21]2:[C:17]3:[N:16]:[C:15]([H:50]):[N:14]:[C:13]([N:12]([H:64])[H:65]):[C:18]:3:[N:19]:[C:20]:2[H:51])([H:52])[C@@:41]([O:42][H:62])([H:63])[C@@:39]1([O:40][H:60])[H:61])([H:57])[H:58])(=[O:28])[O:29][H:53])(=[O:32])[O:33][H:54])[H:66].[H][O:34][P:35](=[O:36])([O:37][H:55])[O:38][H:56]