Hydride → 5-fluoro-N2-[2-(hydroxymethyl)benzofuran-5-yl]-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine
Reaction equation
[CH2:1]1[CH2:2][O:3][C:4]2([NH2:5])[N:6]([C:7]([NH:8][c:9]3[cH:10][cH:11][c:12]4[o:13][c:14]([CH2:15][OH:16])[cH:17][c:18]4[cH:19]3)=[N:20][CH:21]=[C:22]2[F:23])[O:24]1.[CH2:55]([Al+:56][CH2:57][CH:58]([CH3:59])[CH3:60])[CH:61]([CH3:62])[CH3:63].[F:25][c:26]1[c:27]([NH:46][c:47]2[cH:48][c:49]([OH:53])[cH:50][cH:51][cH:52]2)[n:28][c:29]([NH:32][c:33]2[cH:34][cH:35][c:36]3[c:37]([cH:38][c:39]([C:41](=[O:42])[O:43][CH3:44])[o:40]3)[cH:45]2)[n:30][cH:31]1.[H-:54]>>[F:25][c:26]1[c:27]([NH:46][c:47]2[cH:48][c:49]([OH:53])[cH:50][cH:51][cH:52]2)[n:28][c:29]([NH:32][c:33]2[cH:34][cH:35][c:36]3[c:37]([cH:38][c:39]([CH2:41][OH:42])[o:40]3)[cH:45]2)[n:30][cH:31]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-596d8c8468ce45f2b2747d18835fa7a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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