Acrylonitrile → 2-(4-Chloro-2-fluorophenyl)-3-(2-cyanoethylthio)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Reaction equation
[CH2:20]=[CH:21][C:22]#[N:23].[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5]([N:8]2[C:9](=[O:18])[C:10]3=[C:15]([CH2:14][CH2:13][CH2:12][CH2:11]3)[CH:16]2[SH:17])[cH:6][cH:7]1.[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1>>[Cl:1][c:2]1[cH:3][c:4]([F:19])[c:5]([N:8]2[C:9](=[O:18])[C:10]3=[C:15]([CH2:14][CH2:13][CH2:12][CH2:11]3)[CH:16]2[S:17][CH2:20][CH2:21][C:22]#[N:23])[cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-454482b08ae14370af1611214c338ec5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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