Ethanol → 4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-5-[3-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-yl-methylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one
Reaction equation
[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:21][c:22]1[c:23]([CH:36]=[O:37])[nH:24][c:25]([C:27](=[O:28])[N:29]2[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]2)[cH:26]1.[CH3:44][CH2:45][OH:46].[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[N:16]([CH3:20])[C:17](=[O:19])[CH2:18]3)[cH:5][cH:6][c:7]1[F:8].[OH2:47]>>[Cl:1][c:2]1[cH:3][c:4]([NH:9][c:10]2[c:11]3[c:12]([n:13][cH:14][n:15]2)[N:16]([CH3:20])[C:17](=[O:19])[C:18]3=[CH:36][c:23]2[c:22]([CH3:21])[cH:26][c:25]([C:27](=[O:28])[N:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[nH:24]2)[cH:5][cH:6][c:7]1[F:8]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-bc775975550b4adcbb3fa3a24be50d90
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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