Tetrahydrofuran → 1-{2-[1-(4-Fluoro-benzyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethyl}-3-(2-methyl-quinolin-4-yl)-urea

HRID 176549

반응식

HRID 176549 반응식
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[Cl:23][CH2:24][CH2:25][NH:26][C:27](=[O:28])[NH:29][c:30]1[cH:31][c:32]([CH3:40])[n:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]12.[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[NH:8][CH2:9][CH2:10][c:11]3[cH:12][c:13]([O:19][CH3:20])[cH:14][c:15]([O:17][CH3:18])[c:16]32)[cH:21][cH:22]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[N:8]([CH2:24][CH2:25][NH:26][C:27](=[O:28])[NH:29][c:30]3[cH:31][c:32]([CH3:40])[n:33][c:34]4[cH:35][cH:36][cH:37][cH:38][c:39]34)[CH2:9][CH2:10][c:11]3[cH:12][c:13]([O:19][CH3:20])[cH:14][c:15]([O:17][CH3:18])[c:16]32)[cH:21][cH:22]1

참가 물질

4

반응물 3

HCID 8028TetrahydrofuranHCID 23443661-(2-Chloroethyl)-3-(2-methylquinolin-4-yl)ureaHCID 179532861-(4-Fluoro-benzyl)-6,8-dimethoxy-1,2,3,4-tetrahydro-isoquinoline

생성물 1

HCID 103019451-{2-[1-(4-Fluoro-benzyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethyl}-3-(2-methyl-quinolin-4-yl)-urea

출처 및 근거

ORD 기록
ord-a180a130b75e4af295423ed9ad2921b9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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