1-Butanol → 4-[4-(3-Methyl-3H-benzimidazol-5-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

HRID 1133602

반응식

HRID 1133602 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.[CH2:35]([OH:36])[CH2:37][CH2:38][CH3:39].[CH3:24][n:25]1[cH:26][n:27][c:28]2[c:29]1[cH:30][c:31]([NH2:34])[cH:32][cH:33]2>>[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:34][c:31]3[cH:30][c:29]4[n:25]([CH3:24])[cH:26][n:27][c:28]4[cH:33][cH:32]3)[nH:23]2)=[CH:12][CH2:13]1

참가 물질

4

반응물 3

HCID 2631-ButanolHCID 136802831-Methyl-1H-benzimidazol-6-amineHCID 58709797HCID 58709797, 화합물

생성물 1

HCID 587098954-[4-(3-Methyl-3H-benzimidazol-5-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-667e39838bb84ea39851a8de4e7811f5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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