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Dichloromethane → 7-cyclopentyl-2-[5-(4-hydroxy-piperidine-1-carbonyl)-pyridin-2-ylamino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide

HRID 2339863
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반응식

HRID 2339863 반응식
[CH3:1][O:2][C:3]([c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[n:12][cH:13][c:14]3[c:15]([n:16]2)[n:17]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[c:18]([C:20]([N:21]([CH3:22])[CH3:23])=[O:24])[cH:19]3)[cH:8][cH:9]1)=[O:30].[Cl:38][CH2:39][Cl:40].[NH:31]1[CH2:32][CH2:33][CH:34]([OH:37])[CH2:35][CH2:36]1>>[C:3]([c:4]1[cH:5][n:6][c:7]([NH:10][c:11]2[n:12][cH:13][c:14]3[c:15]([n:16]2)[n:17]([CH:25]2[CH2:26][CH2:27][CH2:28][CH2:29]2)[c:18]([C:20]([N:21]([CH3:22])[CH3:23])=[O:24])[cH:19]3)[cH:8][cH:9]1)(=[O:30])[N:31]1[CH2:32][CH2:33][CH:34]([OH:37])[CH2:35][CH2:36]1
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반응물 3

HCID 6344DichloromethaneHCID 79341Piperidin-4-olHCID 67240111methyl 6-(7-cyclopentyl-6-(dimethylcarbamoyl)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)nicotinate

생성물 1

HCID 583154217-cyclopentyl-2-[5-(4-hydroxy-piperidine-1-carbonyl)-pyridin-2-ylamino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide

출처 및 근거

ORD 기록
ord-2b5d7d5812964221bb36a26246ac98c7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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