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Toluene → Ethyl 2-(4-bromo-2,5-difluoro-3-methylbenzoyl)-3-dimethylaminoacrylate

HRID 98317
노트
인쇄 미리보기

반응식

HRID 98317 반응식
[CH3:18][N:19]([CH:20]=[CH:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH3:27].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([F:13])[c:9]([Br:12])[c:10]1[CH3:11].[S:14]([Cl:15])([Cl:16])=[O:17]>>[F:1][c:2]1[c:3]([C:4](=[O:6])[C:21](=[CH:20][N:19]([CH3:18])[CH3:27])[C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:7][c:8]([F:13])[c:9]([Br:12])[c:10]1[CH3:11]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1140TolueneHCID 6228DimethylformamideHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 121015Ethyl 3-(N,N-dimethylamino)acrylateHCID 212202454-Bromo-2,5-difluoro-3-methylbenzoic acid

생성물 1

HCID 86664658Ethyl 2-(4-bromo-2,5-difluoro-3-methylbenzoyl)-3-dimethylaminoacrylate

출처 및 근거

ORD 기록
ord-476737976597423c908f5cb3ffe7a8c4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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