Acetic Acid → 3-azido-1-(2,2,2-trifluoroethyl)-4-(2,4,6-trimethoxybenzyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5dione
Reaction equation
[C:59](=[O:60])([O-:61])[OH:62].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:69][C:70](=[O:71])[OH:72].[CH:38]([c:39]1[cH:40][c:41]([CH:42]([CH3:43])[CH3:44])[cH:45][c:46]([CH:47]([CH3:48])[CH3:49])[c:50]1[S:51](=[O:52])(=[O:53])[N:56]=[N+:57]=[N-:58])([CH3:54])[CH3:55].[F:1][C:2]([CH2:3][N:4]1[C:5](=[O:29])[CH2:6][N:7]([CH2:16][c:17]2[c:18]([O:27][CH3:28])[cH:19][c:20]([O:25][CH3:26])[cH:21][c:22]2[O:23][CH3:24])[C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)([F:30])[F:31].[K+:37].[Na+:63]>>[F:1][C:2]([CH2:3][N:4]1[C:5](=[O:29])[CH:6]([N:56]=[N+:57]=[N-:58])[N:7]([CH2:16][c:17]2[c:18]([O:27][CH3:28])[cH:19][c:20]([O:25][CH3:26])[cH:21][c:22]2[O:23][CH3:24])[C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)([F:30])[F:31]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-e49ff568707a4a5680ec7b592ee6b147
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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