1,2,3,4-Tetrahydroisoquinoline → {4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester

HRID 1573937

반응식

HRID 1573937 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]1[NH:29][CH2:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]21>>[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:29]2[CH2:28][c:37]3[c:32]([cH:33][cH:34][cH:35][cH:36]3)[CH2:31][CH2:30]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

3

반응물 2

HCID 70461,2,3,4-TetrahydroisoquinolineHCID 68613423[1-(Tert-butoxycarbonylamino-methyl)-6,7-dimethoxy-isoquinolin-4-yl]-acetic acid

생성물 1

HCID 68612821{4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-6,7-dimethoxy-isoquinolin-1-ylmethyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-70cc1eef17ec4394a62503af741b5f50
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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