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Acetone → Ethyl 2-bromo-3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]propanoate

HRID 86346
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인쇄 미리보기

반응식

HRID 86346 반응식
[BrH:24].[C:29]([CH:30]=[CH2:31])(=[O:32])[O:33][CH2:34][CH3:35].[CH3:42][OH:43].[CH3:44][C:45](=[O:46])[CH3:47].[N:25]([O-:26])=[O:27].[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:22][CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:21]1.[Na+:28].[Na+:36].[OH2:41].[OH:37][C:38](=[O:39])[O-:40]>>[c:2]1([CH2:31][CH:30]([Br:24])[C:29](=[O:32])[O:33][CH2:34][CH3:35])[cH:3][cH:4][c:5]([O:22][CH3:23])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:21]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 180AcetoneHCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium Ion2회HCID 946NitriteHCID 962WaterHCID 8821Ethyl Acrylate
HCID 10903424
5-amino-2-methoxy-N-(4-trifluoromethylbenzyl)benzamide

생성물 1

HCID 10874612Ethyl 2-bromo-3-[4-methoxy-3-[N-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]phenyl]propanoate

출처 및 근거

ORD 기록
ord-b7e35a6337854e06ae82d7da3991c974
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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