Acetonitrile → 3-[1-(4-Bromo-benzyl)-3-tert-butylsulfanyl-5-(6-fluoro-quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester
Reaction equation
[Br:33][CH2:34][c:35]1[n:36][c:37]2[cH:38][cH:39][c:40]([F:45])[cH:41][c:42]2[cH:43][cH:44]1.[C:46](=[O:47])([O-:48])[O-:49].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[n:8]([CH2:22][c:23]2[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]2)[c:9]2[cH:10][cH:11][c:12]([OH:21])[cH:13][c:14]2[c:15]1[S:16][C:17]([CH3:18])([CH3:19])[CH3:20])([CH3:30])[CH3:31])=[O:32].[CH3:52][C:53]#[N:54].[Cs+:50].[Cs+:51]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[n:8]([CH2:22][c:23]2[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]2)[c:9]2[cH:10][cH:11][c:12]([O:21][CH2:34][c:35]3[n:36][c:37]4[cH:38][cH:39][c:40]([F:45])[cH:41][c:42]4[cH:43][cH:44]3)[cH:13][c:14]2[c:15]1[S:16][C:17]([CH3:18])([CH3:19])[CH3:20])([CH3:30])[CH3:31])=[O:32]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-2ecf8ccf54db40beb72cecb5e020e1f6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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