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

HRID 95248
Notes
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Reaction equation

HRID 95248 reaction equation
[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:21][c:22]1[c:23]([CH:35]=[O:36])[nH:24][c:25]([C:27](=[O:28])[N:29]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[cH:26]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)[N:16]([CH3:20])[C:17](=[O:19])[CH2:18]3)[cH:5][cH:6][c:7]1[F:8].[OH2:46]>>[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])[C:18]3=[CH:35][c:23]2[c:22]([CH3:21])[cH:26][c:25]([C:27](=[O:28])[N:29]3[CH2:30][CH2:31][O:32][CH2:33][CH2:34]3)[nH:24]2)[cH:5][cH:6][c:7]1[F:8]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 8082PiperidineHCID 223909724-((3-Chloro-4-fluorophenyl)amino)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-oneHCID 223910003-methyl-5-(morpholine-4-carbonyl)-1H-pyrrole-2-carbaldehyde

Product 1

HCID 69794254
4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-5-[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl-methylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one

Sources & evidence

ORD record
ord-821445dcfd9840c6ad86ab6f83b90339
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes