Ethanol → 2-Fluoro-4-[6-(1-trityl-1H-pyrazol-4-yl)-quinazolin-4-yl]benzoic acid
Reaction equation
[CH3:49][CH2:50][OH:51].[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][c:11](-[c:13]2[n:14][cH:15][n:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[cH:24][n:25][n:26]([C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)([c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[cH:27]4)[cH:21][c:22]23)[cH:12]1.[Li+:47].[OH-:48].[OH2:52]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:9][cH:10][c:11](-[c:13]2[n:14][cH:15][n:16][c:17]3[cH:18][cH:19][c:20](-[c:23]4[cH:24][n:25][n:26]([C:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)([c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:41]5[cH:42][cH:43][cH:44][cH:45][cH:46]5)[cH:27]4)[cH:21][c:22]23)[cH:12]1Participants
6
Sources & evidence
- ORD record
- ord-932fbaca1c6a4b87b6e79d9c3b130db6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…