Dichloromethane → (4-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzyl)piperazin-1-yl)(3-nitrophenyl)methanone
Reaction equation
[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[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]([CH2:15][N:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[cH:13][cH:14]1)([F:22])[F:23].[N+:31](=[O:32])([O-:33])[c:34]1[cH:35][c:36]([C:37](=[O:38])[Cl:39])[cH:40][cH:41][cH:42]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]([CH2:15][N:16]2[CH2:17][CH2:18][N:19]([C:37]([c:36]3[cH:35][c:34]([N+:31](=[O:32])[O-:33])[cH:42][cH:41][cH:40]3)=[O:38])[CH2:20][CH2:21]2)[cH:13][cH:14]1)([F:22])[F:23]Participants
5
Sources & evidence
- ORD record
- ord-2ac93913462442b2a8783a3acbefcd7e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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