1-Pentanol → 4-[1-(6,7-Dimethoxy-4-p-tolylaminoquinazolin-2-yl)piperidin-4-ylamino]benzoic acid tert-butyl ester
Reaction equation
[C:24]([CH3:25])([CH3:26])([CH3:27])[O:28][C:29]([c:30]1[cH:31][cH:32][c:33]([NH:36][CH:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:34][cH:35]1)=[O:43].[CH2:44]([OH:45])[CH2:46][CH2:47][CH2:48][CH3:49].[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([O:22][CH3:23])[c:7]([O:20][CH3:21])[cH:8][c:9]2[c:10]([NH:12][c:13]2[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]2)[n:11]1>>[c:2]1([N:40]2[CH2:39][CH2:38][CH:37]([NH:36][c:33]3[cH:32][cH:31][c:30]([C:29]([O:28][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:43])[cH:35][cH:34]3)[CH2:42][CH2:41]2)[n:3][c:4]2[cH:5][c:6]([O:22][CH3:23])[c:7]([O:20][CH3:21])[cH:8][c:9]2[c:10]([NH:12][c:13]2[cH:14][cH:15][c:16]([CH3:19])[cH:17][cH:18]2)[n:11]1Participants
4
Sources & evidence
- ORD record
- ord-88fb2901df7b4e1ea6eb12c205bc1d19
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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