Hydrochloric Acid → N4-[2H-1,4-benzoxazin-3 (4H)-thione-6-yl]-5-fluoro-N2-(3-hydroxyphenyl)-2,4-pyrimidinediamine
Reaction equation
[ClH:42].[O:1]1[CH2:2][C:3](=[O:27])[NH:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([NH:11][c:12]1[n:13][c:14]([NH:19][c:20]3[cH:21][c:22]([OH:26])[cH:23][cH:24][cH:25]3)[n:15][cH:16][c:17]1[F:18])[cH:10]2.[P:28]12(=[S:29])[S:30][P:31]3(=[S:41])[S:32][P:33](=[S:39])([S:34][P:35](=[S:38])([S:36]3)[S:37]1)[S:40]2.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[O:1]1[CH2:2][C:3](=[S:29])[NH:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([NH:11][c:12]1[n:13][c:14]([NH:19][c:20]3[cH:21][c:22]([OH:26])[cH:23][cH:24][cH:25]3)[n:15][cH:16][c:17]1[F:18])[cH:10]2Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-768f37bf7cdd47649166d2999d129e0e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…