Ethanol → 3,5-Dimethyl-2-[4-(4-nitrobenzoyl)benzyl]thio-4(3H)-quinazolinone
Reaction equation
[CH3:1][n:2]1[c:3]([SH:14])[n:4][c:5]2[cH:6][cH:7][cH:8][c:9]([CH3:13])[c:10]2[c:11]1=[O:12].[CH3:36][CH2:37][OH:38].[N+:17](=[O:18])([O-:19])[c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[c:26]2[cH:27][cH:28][c:29]([CH2:30][Br:31])[cH:32][cH:33]2)[cH:34][cH:35]1.[Na+:16].[OH-:15]>>[CH3:1][n:2]1[c:3]([S:14][CH2:30][c:29]2[cH:28][cH:27][c:26]([C:24]([c:23]3[cH:22][cH:21][c:20]([N+:17](=[O:18])[O-:19])[cH:35][cH:34]3)=[O:25])[cH:33][cH:32]2)[n:4][c:5]2[cH:6][cH:7][cH:8][c:9]([CH3:13])[c:10]2[c:11]1=[O:12]Participants
6
Sources & evidence
- ORD record
- ord-3a4b058616054e0ba130f44430d45463
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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