Acetic Acid → (3RS)-1-(benzothiazol-2-yl)methyl-2,3-dihydro-5-(2-fluorophenyl)-3-phthalimido-1H-1,4-benzodiazepin-2-one
Reaction equation
[Br:33][CH2:34][c:35]1[s:36][c:37]2[c:38]([n:39]1)[cH:40][cH:41][cH:42][cH:43]2.[C:44](=[O:45])([OH:46])[O-:47].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH3:61][C:62](=[O:63])[OH:64].[F:3][c:4]1[c:5]([C:10]2=[N:11][CH:12]([N:22]3[C:23](=[O:32])[c:24]4[c:25]([cH:28][cH:29][cH:30][cH:31]4)[C:26]3=[O:27])[C:13](=[O:21])[NH:14][c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:6][cH:7][cH:8][cH:9]1.[H-:1].[Na+:2].[Na+:48].[OH2:54]>>[F:3][c:4]1[c:5]([C:10]2=[N:11][CH:12]([N:22]3[C:23](=[O:32])[c:24]4[c:25]([cH:28][cH:29][cH:30][cH:31]4)[C:26]3=[O:27])[C:13](=[O:21])[N:14]([CH2:34][c:35]3[s:36][c:37]4[c:38]([n:39]3)[cH:40][cH:41][cH:42][cH:43]4)[c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:6][cH:7][cH:8][cH:9]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-e17ee22032b6441089468e5f2c7a1b99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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