Dichloromethane → 2-Hydroxy-1-(4-(2-(2-hydroxyphenyl)-7-methylquinazolin-4-yl)piperazin-1-yl)but-3-yn-1-one
Reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[n:7][c:8](-[c:12]3[c:13]([OH:18])[cH:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:39][CH2:40][Cl:41].[OH:25][CH:26]([C:27](=[O:28])[OH:29])[C:30]#[CH:31]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:19]3[CH2:20][CH2:21][N:22]([C:27]([CH:26]([OH:25])[C:30]#[CH:31])=[O:28])[CH2:23][CH2:24]3)[n:7][c:8](-[c:12]3[c:13]([OH:18])[cH:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1Participants
5
Sources & evidence
- ORD record
- ord-4a9279a0ab1f4f2694a7faf65aa665d7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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