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Water → 3-[4-(1-Ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-3-trifluoromethoxy-phenyl]-acrylic acid tert-butyl ester

HRID 2344409
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인쇄 미리보기

반응식

HRID 2344409 반응식
[Br:10][c:11]1[cH:12][c:13]([O:33][C:34]([F:35])([F:36])[F:37])[c:14](-[c:17]2[c:18]([CH3:32])[cH:19][c:20]3[c:25]([cH:26]2)[N:24]([CH2:27][CH3:28])[C:23](=[O:29])[CH2:22][C:21]3([CH3:30])[CH3:31])[cH:15][cH:16]1.[C:1]([CH:2]=[CH2:3])(=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9].[CH:38]1([N:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH3:46])[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:52]>>[C:1]([CH:2]=[CH:3][c:11]1[cH:12][c:13]([O:33][C:34]([F:35])([F:36])[F:37])[c:14](-[c:17]2[c:18]([CH3:32])[cH:19][c:20]3[c:25]([cH:26]2)[N:24]([CH2:27][CH3:28])[C:23](=[O:29])[CH2:22][C:21]3([CH3:30])[CH3:31])[cH:15][cH:16]1)(=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 962WaterHCID 15458tert-Butyl acrylateHCID 24210N-Methyl dicyclohexylamineHCID 312751,4-DioxaneHCID 686656347-(4-Bromo-2-trifluoromethoxy-phenyl)-1-ethyl-4,4,6-trimethyl-3,4-dihydro-1H-quinolin-2-one

생성물 1

HCID 68666445
3-[4-(1-Ethyl-4,4,6-trimethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-3-trifluoromethoxy-phenyl]-acrylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-cf6c425e086a44059fa6e1e113533264
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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