1,2,3,4-Tetrahydroisoquinoline → N-(2,3-dihydro-1H-inden-1-yl)-2-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

반응식

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

참가 물질

반응물 2

HCID 70461,2,3,4-Tetrahydroisoquinoline

HCID 227427252-(1-Hydroxymethyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(indan-1-yl)-acetamide

생성물 1

HCID 22742789N-(2,3-dihydro-1H-inden-1-yl)-2-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

출처 및 근거

ORD 기록: ord-ec874891b83946be82ae08abfe14455f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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