Trifluoroacetic acid → 4-[1-(6,7-Dimethoxy-4-p-tolylaminoquinazolin-2-yl)piperidin-4-ylamino]benzoic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][cH:9][c:10]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([c:20]3[n:21][c:22]4[cH:23][c:24]([O:40][CH3:41])[c:25]([O:38][CH3:39])[cH:26][c:27]4[c:28]([NH:30][c:31]4[cH:32][cH:33][c:34]([CH3:37])[cH:35][cH:36]4)[n:29]3)[CH2:18][CH2:19]2)[cH:11][cH:12]1)=[O:42].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[O:5]=[C:6]([c:7]1[cH:8][cH:9][c:10]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([c:20]3[n:21][c:22]4[cH:23][c:24]([O:40][CH3:41])[c:25]([O:38][CH3:39])[cH:26][c:27]4[c:28]([NH:30][c:31]4[cH:32][cH:33][c:34]([CH3:37])[cH:35][cH:36]4)[n:29]3)[CH2:18][CH2:19]2)[cH:11][cH:12]1)[OH:42]Participants
3
Sources & evidence
- ORD record
- ord-e97e0294708a4d7ebfa7e665a38485d3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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