Hydrochloric Acid → N-(4-Fluorophenyl)-3-methyl-1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

HRID 2127756

반응식

HRID 2127756 반응식
[CH3:2][CH:3]1[NH:4][CH:5]([c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[CH2:12]1.[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[Cl:43][CH2:44][Cl:45].[ClH:1].[F:32][c:33]1[cH:34][cH:35][c:36]([N:39]=[C:40]=[O:41])[cH:37][cH:38]1.[OH2:42]>>[CH3:2][CH:3]1[N:4]([C:40]([NH:39][c:36]2[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]2)=[O:41])[CH:5]([c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]2[CH2:12]1

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 709554-Fluorophenyl isocyanateHCID 81531DiisopropylethylamineHCID 595363073-Methyl-1-(4-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinoline

생성물 1

HCID 59536362N-(4-Fluorophenyl)-3-methyl-1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide

출처 및 근거

ORD 기록
ord-a423f06c92904867b36821fbcdc0313e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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