Dichloromethane → 2-[4-(Cyanomethyl)phenyl]-3-[4-[2-(1-pyrrolidinyl)ethoxy]benzyl]benzo[b]thiophene
Reaction equation
[Al+3:36].[CH2:41]([SiH:42]([CH2:43][CH3:44])[CH2:45][CH3:46])[CH3:47].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[Cl:53][CH2:54][Cl:55].[H-:35].[H-:38].[H-:39].[H-:40].[Li+:37].[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[c:17]3[c:18]4[c:19]([s:20][c:21]3-[c:22]3[cH:23][cH:24][c:25]([CH2:28][C:29]#[N:30])[cH:26][cH:27]3)[cH:31][cH:32][cH:33][cH:34]4)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[N:1]1([CH2:6][CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([CH2:15][c:17]3[c:18]4[c:19]([s:20][c:21]3-[c:22]3[cH:23][cH:24][c:25]([CH2:28][C:29]#[N:30])[cH:26][cH:27]3)[cH:31][cH:32][cH:33][cH:34]4)[cH:13][cH:14]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-f65b340a204045df8b789d57072e2a8a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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