Dichloromethane → (+)-4-{4-[3-(3-Benzo[1,3]dioxol-5-ylmethyl-piperidin-1-yl)-propionyl]-piperazin-1-yl}-2-fluoro-benzonitrile
Reaction equation
[C:1]([CH:2]=[CH2:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][c:13]([F:19])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[CH2:9][CH2:10]1.[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:48][CH2:49][Cl:50].[O:20]1[CH2:21][O:22][c:23]2[c:24]1[cH:25][cH:26][c:27]([CH2:29][CH:30]1[CH2:31][NH:32][CH2:33][CH2:34][CH2:35]1)[cH:28]2>>[C:1]([CH2:2][CH2:3][N:32]1[CH2:31][CH:30]([CH2:29][c:27]2[cH:26][cH:25][c:24]3[c:23]([cH:28]2)[O:22][CH2:21][O:20]3)[CH2:35][CH2:34][CH2:33]1)(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([c:11]2[cH:12][c:13]([F:19])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[CH2:9][CH2:10]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-cfdb8a840cec41e78538513299cf63dc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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