Water → 1-[2-(6,7-Dimethoxyquinazolin-4-ylamino)benzothiazol-6-yl]-3-(3-trifluoromethylphenyl)urea
Reaction equation
[CH3:14][O:15][c:16]1[cH:17][c:18]2[c:19]([NH:28][c:29]3[s:30][c:31]4[c:32]([n:33]3)[cH:34][cH:35][c:36]([NH2:38])[cH:37]4)[n:20][cH:21][n:22][c:23]2[cH:24][c:25]1[O:26][CH3:27].[F:1][C:2]([c:3]1[cH:4][c:5]([N:9]=[C:10]=[O:11])[cH:6][cH:7][cH:8]1)([F:12])[F:13].[OH2:39]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:9][C:10](=[O:11])[NH:38][c:36]2[cH:35][cH:34][c:32]3[c:31]([s:30][c:29]([NH:28][c:19]4[c:18]5[cH:17][c:16]([O:15][CH3:14])[c:25]([O:26][CH3:27])[cH:24][c:23]5[n:22][cH:21][n:20]4)[n:33]3)[cH:37]2)[cH:6][cH:7][cH:8]1)([F:12])[F:13]Participants
4
Sources & evidence
- ORD record
- ord-e463414ba28f4b5197a79f12a00b0e25
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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