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Acetic Acid → 5-Chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethyl]sulfinylacetyl]amino]benzoic acid

HRID 110742
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인쇄 미리보기

반응식

HRID 110742 반응식
[CH3:1][C:2]([OH:3])=[O:4].[Cl:13][c:14]1[cH:15][cH:16][c:17]([NH:23][C:24]([CH2:25][S:26][CH2:27][C:28](=[O:29])[NH:30][c:31]2[cH:32][c:33](-[c:37]3[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]3)[cH:34][cH:35][cH:36]2)=[O:44])[c:18]([C:19](=[O:20])[OH:21])[cH:22]1.[Na:12].[OH2:45].[OH:10][OH:11].[S:5](=[O:6])(=[O:7])([OH:8])[OH:9]>>[O:3]=[S:26]([CH2:25][C:24]([NH:23][c:17]1[cH:16][cH:15][c:14]([Cl:13])[cH:22][c:18]1[C:19](=[O:20])[OH:21])=[O:44])[CH2:27][C:28](=[O:29])[NH:30][c:31]1[cH:32][c:33](-[c:37]2[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]2)[cH:34][cH:35][cH:36]1
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반응물 6

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 5360545SodiumHCID 668774115-Chloro-2-([((2-[(4'-fluorobiphenyl-3-yl)amino]-2-oxoethyl)sulfanyl)acetyl]amino)benzoic acid

생성물 1

HCID 44251083
5-Chloro-2-[[2-[2-[3-(4-fluorophenyl)anilino]-2-oxoethyl]sulfinylacetyl]amino]benzoic acid

출처 및 근거

ORD 기록
ord-34f328f731694ac2a5a3e99f0b4b185c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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