N-isopropyl-N-methyl-2-piperazin-1-yl-acetamide → HCID 178466290, compound
Reaction equation
[CH:37]([CH3:38])([CH3:39])[N:40]([C:41]([CH2:42][N:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1)=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:23]3[c:24]([O:34][CH2:35][CH3:36])[cH:25][cH:26][c:27]([C:29]([CH3:30])([CH3:31])[C:32]#[N:33])[cH:28]3)[N:11]([C:20](=[O:21])[Cl:22])[CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:23]3[c:24]([O:34][CH2:35][CH3:36])[cH:25][cH:26][c:27]([C:29]([CH3:30])([CH3:31])[C:32]#[N:33])[cH:28]3)[N:11]([C:20](=[O:21])[N:46]3[CH2:45][CH2:44][N:43]([CH2:42][C:41]([N:40]([CH:37]([CH3:38])[CH3:39])[CH3:50])=[O:49])[CH2:48][CH2:47]3)[CH:12]2[c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-ad6cfb38e02c47d89b8c9892e4888b7d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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