4-Benzylpiperidine → {4-[2-(4-Benzyl-piperidin-1-yl)-2-oxo-ethyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester

반응식

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

참가 물질

반응물 2

HCID 317384-Benzylpiperidine

HCID 68613423[1-(Tert-butoxycarbonylamino-methyl)-6,7-dimethoxy-isoquinolin-4-yl]-acetic acid

생성물 1

HCID 68612809{4-[2-(4-Benzyl-piperidin-1-yl)-2-oxo-ethyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-ce70a7f21b3f43878e3b1caae7c471e5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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