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Benzoic Acid → 4-[4-(1-fluoro-1-methyl-2-{[(methylethyl)sulfonyl]amino}ethyl)phenyl]benzoic Acid

HRID 91127
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인쇄 미리보기

반응식

HRID 91127 반응식
[BH:19]([OH:20])[OH:21].[C:22](=[O:23])([OH:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[C:31](=[O:32])([O-:33])[O-:34].[F:1][C:2]([CH2:3][NH:4][S:5](=[O:6])(=[O:7])[CH:8]([CH3:9])[CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([I:18])[cH:16][cH:17]1.[K+:35].[K+:36].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:37].[OH2:38]>>[F:1][C:2]([CH2:3][NH:4][S:5](=[O:6])(=[O:7])[CH:8]([CH3:9])[CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15](-[c:28]2[cH:27][cH:26][c:25]([C:22](=[O:23])[OH:24])[cH:30][cH:29]2)[cH:16][cH:17]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 243Benzoic AcidHCID 813Potassium Cation2회HCID 962Water2회HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 61668Boronic AcidHCID 9800265[2-Fluoro-2-(4-iodophenyl)propyl][(methylethyl)sulfonyl]amine

생성물 1

이 페이지에서참가 물질출처 및 근거반응 노트
HCID 221765834-[4-(1-fluoro-1-methyl-2-{[(methylethyl)sulfonyl]amino}ethyl)phenyl]benzoic Acid

출처 및 근거

ORD 기록
ord-fe43c48ecaff49f5be33b46381194c12
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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