Dichloromethane → 2-[4-[4-(Benzenesulfonyl)-2-prop-1-ynylpiperazin-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Reaction equation
[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[Cl:43][CH2:44][Cl:45].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([N:15]2[CH:16]([C:21]#[C:22][CH3:23])[CH2:17][NH:18][CH2:19][CH2:20]2)[cH:13][cH:14]1)([F:24])[F:25].[c:33]1([S:39](=[O:40])(=[O:41])[Cl:42])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([N:15]2[CH:16]([C:21]#[C:22][CH3:23])[CH2:17][N:18]([S:39]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)(=[O:40])=[O:41])[CH2:19][CH2:20]2)[cH:13][cH:14]1)([F:24])[F:25]Participants
5
Sources & evidence
- ORD record
- ord-9cc55272a31c4819a94bd02566527e58
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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