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

HRID 1536711
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반응식

HRID 1536711 반응식
[C:15]([CH3:16])([CH3:17])([CH3:18])[O:19][C:20](=[O:21])[NH:22][CH:23]1[CH2:24][C:25]([C:28](=[O:29])[OH:30])([CH:31]([CH3:32])[CH3:33])[CH2:26][CH2:27]1.[CH2:43]([Cl:44])[Cl:45].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[CH2:10][NH:9][CH2:8][CH2:7]2)([F:13])[F:14]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:11]([cH:12]1)[CH2:10][N:9]([C:28]([C:25]1([CH:31]([CH3:32])[CH3:33])[CH2:24][CH:23]([NH:22][C:20]([O:19][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:21])[CH2:27][CH2:26]1)=[O:29])[CH2:8][CH2:7]2)([F:13])[F:14]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 103755517-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinolineHCID 235335173-(Tert-butoxycarbonylamino)-1-isopropylcyclopentanecarboxylic acid

생성물 1

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

출처 및 근거

ORD 기록
ord-4ff438b24fa04cb492ac7987408a4196
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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