3-(2-Chloroethoxy)benzonitrile → 3-(3-{[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thio}propoxy)benzonitrile
Reaction equation
[Cl:13][CH2:14][CH2:15][CH2:16][O:17][c:18]1[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]1.[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][c:7]([C:11]#[N:12])[cH:8][cH:9][cH:10]1.[F:32][C:33]([c:34]1[n:35][c:36]([SH:39])[n:37][nH:38]1)([F:40])[F:41].[nH:26]1[cH:27][n:28][c:29]([SH:30])[n:31]1>>[CH2:14]([CH2:15][CH2:16][O:17][c:18]1[cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25]1)[S:39][c:36]1[n:35][c:34]([C:33]([F:32])([F:40])[F:41])[nH:38][n:37]1Participants
5
Sources & evidence
- ORD record
- ord-7395f0e7c12f46d9a5fd57faa20d17d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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