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Hydrochloric Acid → n-[4-Fluoro-3-(trifluoromethyl)phenyl]-1,8,8-trimethyl-2,4-dioxobicyclo[3.2.1]octane-3-carboxamide

HRID 2138869
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인쇄 미리보기

반응식

HRID 2138869 반응식
[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[CH3:1][C:2]12[C:3](=[O:13])[CH2:4][C:5](=[O:12])[CH:6]([CH2:7][CH2:8]1)[C:9]2([CH3:10])[CH3:11].[CH3:36][N:37]([CH3:38])[c:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1.[Cl:45][CH2:46][Cl:47].[ClH:35].[F:21][c:22]1[c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([N:28]=[C:29]=[O:30])[cH:26][cH:27]1>>[CH3:1][C:2]12[C:3](=[O:13])[CH:4]([C:29]([NH:28][c:25]3[cH:24][c:23]([C:31]([F:32])([F:33])[F:34])[c:22]([F:21])[cH:27][cH:26]3)=[O:30])[C:5](=[O:12])[CH:6]([CH2:7][CH2:8]1)[C:9]2([CH3:10])[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 1378761,8,8-Trimethylbicyclo[3.2.1]octane-2,4-dioneHCID 27333834-Fluoro-3-(trifluoromethyl)phenyl isocyanate

생성물 1

HCID 11596142
n-[4-Fluoro-3-(trifluoromethyl)phenyl]-1,8,8-trimethyl-2,4-dioxobicyclo[3.2.1]octane-3-carboxamide

출처 및 근거

ORD 기록
ord-390ea31d9e9343f5a952d79fcf05f1e0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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