Tetrahydrofuran → 2-(4-Chlorophenoxy-methyl)-2-(4-chlorophenyl-methylsulfonyl)-propionitrile
Reaction equation
[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:15][c:16]1[cH:17][cH:18][c:19]([CH2:22][S:23](=[O:24])(=[O:25])[Cl:26])[cH:20][cH:21]1.[N:27]1([CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][NH:42]1.[NH2:1][C:2]([C:3]#[N:4])([CH3:5])[CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[C:2]([C:3]#[N:4])([CH3:5])([CH2:6][O:7][c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[S:23]([CH2:22][c:19]1[cH:18][cH:17][c:16]([Cl:15])[cH:21][cH:20]1)(=[O:24])=[O:25]Participants
6
Sources & evidence
- ORD record
- ord-ecb6fa02195b474e96ee65b080f050ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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