Toluene → {6-Fluoro-5-[2-methyl-4-(2,3,4,5-tetrahydrobenzo[b]azepine-1-carbonyl)-benzylcarbamoyl]-2-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]diazepin-1-yl}acetic Acid Tert-Butyl Ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]1[c:9]2[c:10]([c:16]([F:20])[cH:17][cH:18][cH:19]2)[NH:11][CH2:12][CH2:13][C:14]1=[O:15])=[O:21].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:22][C:23]([Cl:24])=[O:25].[NH2:42][CH2:43][c:44]1[c:45]([CH3:63])[cH:46][c:47]([C:50](=[O:51])[N:52]2[c:53]3[c:54]([cH:59][cH:60][cH:61][cH:62]3)[CH2:55][CH2:56][CH2:57][CH2:58]2)[cH:48][cH:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][N:8]1[c:9]2[c:10]([c:16]([F:20])[cH:17][cH:18][cH:19]2)[N:11]([C:23](=[O:25])[NH:42][CH2:43][c:44]2[c:45]([CH3:63])[cH:46][c:47]([C:50](=[O:51])[N:52]3[c:53]4[c:54]([cH:59][cH:60][cH:61][cH:62]4)[CH2:55][CH2:56][CH2:57][CH2:58]3)[cH:48][cH:49]2)[CH2:12][CH2:13][C:14]1=[O:15])=[O:21]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-924ea95e677b4a4dbd43fe6658f5aa6a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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