Dichloromethane → 5-bromo-N-tert-butyl-1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 62412tert-Butyl isocyanate

HCID 595362725-Bromo-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline

생성물 1

HCID 595364105-bromo-N-tert-butyl-1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

출처 및 근거

ORD 기록: ord-05f4b164d30d4ad785a86f4bceaebb66
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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