Toluene → 3-[2-[4-[(3,4-Dichlorophenyl)methoxy]phenyl]-2-hydroxyethoxy]-4-fluorobenzonitrile
Reaction equation
[BH3:12].[CH2:1]([N:2]([CH2:3][CH3:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[CH3:11].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:13][c:14]1[cH:15][c:16]([CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([C:25]([CH2:26][O:27][c:28]3[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]3[F:36])=[O:37])[cH:23][cH:24]2)[cH:38][cH:39][c:40]1[Cl:41]>>[Cl:13][c:14]1[cH:15][c:16]([CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]([CH:25]([CH2:26][O:27][c:28]3[cH:29][c:30]([C:31]#[N:32])[cH:33][cH:34][c:35]3[F:36])[OH:37])[cH:23][cH:24]2)[cH:38][cH:39][c:40]1[Cl:41]Participants
6
Sources & evidence
- ORD record
- ord-ff4b4a63ba814517bd2c4ab827afd85f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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