2-Chloro-5-(chloromethyl)thiophene → 4-[1-(5-chlorothiophen-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-piperidine-1-carboxylic acid tert-butyl ester

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][nH:16][c:17]3[n:18][cH:19][cH:20][cH:21][c:22]23)[CH2:12][CH2:13]1.[Cl:23][c:24]1[s:25][c:26]([CH2:29][Cl:30])[cH:27][cH:28]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[cH:15][n:16]([CH2:29][c:26]3[s:25][c:24]([Cl:23])[cH:28][cH:27]3)[c:17]3[n:18][cH:19][cH:20][cH:21][c:22]23)[CH2:12][CH2:13]1

참가 물질

반응물 2

HCID 5830792-Chloro-5-(chloromethyl)thiophene

HCID 49758876tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate

생성물 1

HCID 688942864-[1-(5-chlorothiophen-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-b9b482950f0e4b3fa54f61f15eadda9b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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