5-Amino-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzonitrile → HCID 22228010, compound
Reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][c:10]([C:13](=[O:14])[OH:15])[cH:11][cH:12]2)[cH:6][cH:7]1.[NH2:16][c:17]1[cH:18][cH:19][c:20]([N:25]2[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][OH:33])[CH2:29][CH2:30]2)[c:21]([C:22]#[N:23])[cH:24]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][c:10]([C:13](=[O:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([N:25]4[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][OH:33])[CH2:29][CH2:30]4)[c:21]([C:22]#[N:23])[cH:24]3)[cH:11][cH:12]2)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-131ab53d987145329acb66ee8eb0b9fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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