SMIRKS
[H][N:20]([C@@:21]([C:22]([O:23][H:40])([H:41])[H:42])([C:24](=[O:25])[O:26][H:43])[H:44])[H:45]>>[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C(=O)[N:20]([C@@:21]([C:22]([O:23][H:40])([H:41])[H:42])([C:24](=[O:25])[O:26][H:43])[H:44])[H:45]
Derived Operators
EVODEX.1-F222 - Elemental Balance
| O | 3 |
| C | 5 |
| N | 1 |
| H | 7 |
EVODEX.1-M133 - Mass Difference
129.04261
EVODEX.1-E935 - Reaction Operator E
[#7:1](-[#6:2])(-[H:70])-[H]>>[#7:1](-[#6:2])(-[#6](-[#6](-[#6](-[#6@](-[#7](-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])=[#8])-[H:70]
EVODEX.1-C367 - Reaction Operator C
[H]-[#7:5]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5]
EVODEX.1-N424 - Reaction Operator N
[H]-[#7:5](-[#6:4])-[H:50]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7:5](-[#6:4])-[H:50]
Source Full Reactions
EVODEX.1-R7667
[H][N:11]([C@@:12]([C:13]([O:14][H:49])([H:50])[H:51])([C:15](=[O:16])[O:17][H:52])[H:53])[H:54].[N:18]([C:19]1:[N:20]:[C:21]([H:56]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:57]):[N:27]:2[C@:28]1([H:58])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:59])[O:36][P:37](=[O:38])([O:39][H:60])[O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62])([H:63])[H:64])([H:65])[C@:45]([O:46][H:66])([H:67])[C@:47]1([O:48][H:68])[H:69])([H:70])[H:71].[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:7][H:72])([H:73])[H:74])([H:75])[H:76])([C:8](=[O:9])[O:10][H:77])[H:78])([H:79])[H:80]>>[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:11]([C@@:12]([C:13]([O:14][H:49])([H:50])[H:51])([C:15](=[O:16])[O:17][H:52])[H:53])[H:54])([H:73])[H:74])([H:75])[H:76])([C:8](=[O:9])[O:10][H:77])[H:78])([H:79])[H:80].[H][O:40][P:41](=[O:42])([O:43][H:61])[O:44][H:62].[O:7]([P:37]([O:36][P:33]([O:32][C:31]([C@@:30]1([H:65])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:56]):[N:20]:[C:19]([N:18]([H:70])[H:71]):[C:24]:3:[N:25]:[C:26]:2[H:57])([H:58])[C@@:47]([O:48][H:68])([H:69])[C@@:45]1([O:46][H:66])[H:67])([H:63])[H:64])(=[O:34])[O:35][H:59])(=[O:38])[O:39][H:60])[H:72]
EVODEX.1-R2883
[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([N+:12](=[O:13])[O-:14]):[C:15]([H:29]):[C:16]:1[H:30])[H:31])([H:32])[H:33])([H:34])[H:35])([C:17](=[O:18])[O:19][H:36])[H:37])([H:38])[H:39].[H][N:20]([C@@:21]([C:22]([O:23][H:40])([H:41])[H:42])([C:24](=[O:25])[O:26][H:43])[H:44])[H:45]>>[N:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[N:20]([C@@:21]([C:22]([O:23][H:40])([H:41])[H:42])([C:24](=[O:25])[O:26][H:43])[H:44])[H:45])([H:32])[H:33])([H:34])[H:35])([C:17](=[O:18])[O:19][H:36])[H:37])([H:38])[H:39].[H][N:7]([C:8]1:[C:9]([H:27]):[C:10]([H:28]):[C:11]([N+:12](=[O:13])[O-:14]):[C:15]([H:29]):[C:16]:1[H:30])[H:31]