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Chloride → Methyl2-(2,3,4-trifluoroanilino)propionate

HRID 2339199
노트
인쇄 미리보기

반응식

HRID 2339199 반응식
[C:11](=[O:12])([O-:13])[O-:14].[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49])([CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH2:65][CH3:66].[CH3:17][c:18]1[cH:19][cH:20][c:21]([S:22]([O:23][CH:28]([C:29](=[O:30])[O:31][CH3:32])[CH3:33])(=[O:24])=[O:25])[cH:26][cH:27]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cl-:41].[F:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([F:10])[c:8]1[F:9].[K+:15].[K+:16]>>[F:1][c:2]1[c:3]([NH:4][CH:28]([C:29](=[O:30])[O:31][CH3:32])[CH3:33])[cH:5][cH:6][c:7]([F:10])[c:8]1[F:9]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 312ChlorideHCID 813Potassium Cation2회HCID 1140TolueneHCID 19660Carbonate IonHCID 75057TetrahexylammoniumHCID 774682,3,4-TrifluoroanilineHCID 11807357Propanoic acid, 2-(((4-methylphenyl)sulfonyl)oxy)-, methyl ester

생성물

1
HCID 22015876Methyl2-(2,3,4-trifluoroanilino)propionate

출처 및 근거

ORD 기록
ord-0aa8befe80cf48c7a303782db46f417c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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