Hydrochloric Acid → (3-amino-1-propan-2-ylcyclopentyl)-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

반응식

[CH2:34]1[O:35][CH2:36][CH2:37][O:38][CH2:39]1.[CH:1]([CH3:2])([CH3:3])[C:4]1([C:17](=[O:18])[N:19]2[CH2:20][c:21]3[cH:22][c:23]([C:29]([F:30])([F:31])[F:32])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH2:5][CH:6]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:7][CH2:8]1.[ClH:33]>>[CH:1]([CH3:2])([CH3:3])[C:4]1([C:17](=[O:18])[N:19]2[CH2:20][c:21]3[cH:22][c:23]([C:29]([F:30])([F:31])[F:32])[cH:24][cH:25][c:26]3[CH2:27][CH2:28]2)[CH2:5][CH:6]([NH2:9])[CH2:7][CH2:8]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 72423069tert-butyl N-[3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]carbamate

생성물 1

HCID 72423030(3-amino-1-propan-2-ylcyclopentyl)-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

출처 및 근거

ORD 기록: ord-d641991322d24aaf9b6b4d8a17985544
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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