1-Butanol → 4-[4-(6-Oxo-1-phenyl-1,6-dihydropyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

HRID 150173노트

반응식

HRID 150173 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[Cl:22])[nH:23]2)=[CH:12][CH2:13]1.[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[NH2:24][c:25]1[cH:26][cH:27][c:28](=[O:37])[n:29](-[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]([c:14]2[cH:15][c:16]3[c:17]([n:18][cH:19][n:20][c:21]3[NH:24][c:25]3[cH:26][cH:27][c:28](=[O:37])[n:29](-[c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[cH:30]3)[nH:23]2)=[CH:12][CH2:13]1

참가 물질

4

반응물 3

HCID 2631-ButanolHCID 58709797tert-butyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydropyridine-1(2H)-carboxylateHCID 587098035-Amino-1-phenyl-1,2-dihydropyridin-2-one

생성물 1

HCID 587098714-[4-(6-Oxo-1-phenyl-1,6-dihydropyridin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-f2f8f42aa8a14bcebcdaff3befa6c79e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

반응 노트

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