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

HRID 1123473
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인쇄 미리보기

반응식

HRID 1123473 반응식
[CH2:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:20][c:21]1[c:22]([CH:35]=[O:36])[nH:23][c:24]([C:26](=[O:27])[N:28]2[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]2)[cH:25]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:22]2[c:21]([CH3:20])[cH:25][c:24]([C:26](=[O:27])[N:28]3[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]3)[nH:23]2)[cH:5][cH:6][c:7]1[F:8]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 702EthanolHCID 8082PiperidineHCID 98787694-(3-Chloro 4-fluoro-phenylamino)-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-oneHCID 221354543-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrole-2-carbaldehyde

생성물 1

HCID 697952994-(3-Chloro-4-fluoro-phenylamino)-5-[3-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-yl-methylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one

출처 및 근거

ORD 기록
ord-d692cfc7dfff45458ac4db90806333ae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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