Acetic Acid → 1-(3-amino-benzyl)-4-(4-isopropyl-phenyl)-6-propargyloxy-1H-quinazolin-2-one
Reaction equation
[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:42][C:43](=[O:44])[OH:45].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12](=[O:34])[n:13]([CH2:24][c:25]3[cH:26][c:27]([N+:31]([O-:32])=[O:33])[cH:28][cH:29][cH:30]3)[c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][C:22]#[CH:23])[cH:18][c:19]23)[cH:8][cH:9]1.[Fe:46].[OH2:41]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12](=[O:34])[n:13]([CH2:24][c:25]3[cH:26][c:27]([NH2:31])[cH:28][cH:29][cH:30]3)[c:14]3[cH:15][cH:16][c:17]([O:20][CH2:21][C:22]#[CH:23])[cH:18][c:19]23)[cH:8][cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-d2a1cf3953474dc2a6e1cae8045c3b5a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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