Methanol → 1-(3-(2-Cyanopropan-2-yl)isoxazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-ylthio)phenyl)urea
Reaction equation
[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[n:7][o:8][c:9]([NH:11][C:12]([O:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[cH:10]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:21][O:22][c:23]1[cH:24][c:25]2[c:26]([S:35][c:36]3[cH:37][c:38]([NH2:39])[cH:40][cH:41][cH:42]3)[n:27][cH:28][n:29][c:30]2[cH:31][c:32]1[O:33][CH3:34].[CH3:43][OH:44]>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[n:7][o:8][c:9]([NH:11][C:12](=[O:20])[NH:39][c:38]2[cH:37][c:36]([S:35][c:26]3[c:25]4[cH:24][c:23]([O:22][CH3:21])[c:32]([O:33][CH3:34])[cH:31][c:30]4[n:29][cH:28][n:27]3)[cH:42][cH:41][cH:40]2)[cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-aaf24d71e4bf4a40a766cdbb9766364a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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