Acetic Acid → (3RS)-2,3-dihydro-5-(2-fluorophenyl)-1-(2-oxo-2H-1-benzopyran-6-yl)methyl-3-phthalimido-1H-1,4-benzodiazepin-2-one
Reaction equation
[Br:33][CH2:34][c:35]1[cH:36][c:37]2[cH:38][cH:39][c:40](=[O:45])[o:41][c:42]2[cH:43][cH:44]1.[C:46](=[O:47])([OH:48])[O-:49].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH3:63][C:64](=[O:65])[OH:66].[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+:50].[OH2:56]>>[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[cH:36][c:37]4[cH:38][cH:39][c:40](=[O:45])[o:41][c:42]4[cH:43][cH:44]3)[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-6733dbb06cf34e0f851c67ed5859daa2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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