Hydrochloric Acid → 3-(3-Chloro-4-isopropoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 59556674tert-butyl 5-(3-(3-chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate

생성물 1

HCID 595566813-(3-Chloro-4-isopropoxyphenyl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole

출처 및 근거

ORD 기록: ord-a6fa293eebfb4a819d90ab00a9077f52
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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