Chloroacetyl chloride → 4-(4-{2-[trans-4-(4-Nitro-3-trifluoromethyl-phenylamino)-cyclohexyloxy]-acetyl]-piperazin-1-yl)-benzonitrile
Reaction equation
[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)[CH2:9][CH2:10]1.[Cl:33][CH2:34][C:35]([Cl:36])=[O:37].[N+:38](=[O:39])([O-:40])[c:41]1[c:42]([C:55]([F:56])([F:57])[F:58])[cH:43][c:44]([NH:47][CH:48]2[CH2:49][CH2:50][CH:51]([OH:54])[CH2:52][CH2:53]2)[cH:45][cH:46]1.[N:19]1([c:20]2[cH:21][cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27]2)[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1>>[CH2:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)[CH2:9][CH2:10]1)[O:54][CH:51]1[CH2:50][CH2:49][CH:48]([NH:47][c:44]2[cH:43][c:42]([C:55]([F:56])([F:57])[F:58])[c:41]([N+:38](=[O:39])[O-:40])[cH:46][cH:45]2)[CH2:53][CH2:52]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-375f55746fc2488f822390dbc64bb35c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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