Acetonitrile → 3-{3-tert-Butylsulfanyl-5-(6-fluoro-quinolin-2-ylmethoxy)-1-[4-(6-methoxy-pyridin-3-yl)-benzyl]-1H-indol-2-yl}-2,2-dimethyl-propionic acid ethyl ester
Reaction equation
[Br:40][CH2:41][c:42]1[n:43][c:44]2[cH:45][cH:46][c:47]([F:52])[cH:48][c:49]2[cH:50][cH:51]1.[C:53](=[O:54])([O-:55])[O-:56].[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](-[c:29]3[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]3)[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])([CH3:37])[CH3:38])=[O:39].[CH3:59][C:60]#[N:61].[Cs+:57].[Cs+:58]>>[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](-[c:29]3[cH:30][n:31][c:32]([O:35][CH3:36])[cH:33][cH:34]3)[cH:27][cH:28]2)[c:9]2[cH:10][cH:11][c:12]([O:21][CH2:41][c:42]3[n:43][c:44]4[cH:45][cH:46][c:47]([F:52])[cH:48][c:49]4[cH:50][cH:51]3)[cH:13][c:14]2[c:15]1[S:16][C:17]([CH3:18])([CH3:19])[CH3:20])([CH3:37])[CH3:38])=[O:39]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-2064443d5e9f430eb37cd4cd15159cd6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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