Ethanol → 4-(3-Chloro-4-fluoro-phenylamino)-5-[4-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one

HRID 174822

Reaction equation

HRID 174822 reaction equation
[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:20][c:21]1[cH:22][c:23]([CH:35]=[O:36])[nH:24][c:25]1[C:26](=[O:27])[N:28]1[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]1.[CH3:43][CH2:44][OH:45].[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)[NH:16][C:17](=[O:19])[CH2:18]3)[cH:5][cH:6][c:7]1[F:8]>>[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)[NH:16][C:17](=[O:19])[C:18]3=[CH:35][c:23]2[cH:22][c:21]([CH3:20])[c:25]([C:26](=[O:27])[N:28]3[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]3)[nH:24]2)[cH:5][cH:6][c:7]1[F:8]

Participants

5

Reactant 4

HCID 702EthanolHCID 8082PiperidineHCID 98787694-(3-Chloro 4-fluoro-phenylamino)-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-oneHCID 223909764-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde

Product 1

HCID 697941964-(3-Chloro-4-fluoro-phenylamino)-5-[4-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one

Sources & evidence

ORD record
ord-27adaf93837f426f992b036cbb8e5fe2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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