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Methanol → 4-[[(4-Chlorophenyl)sulfonyl-(5,5-difluoro-2-oxoazepan-3-yl)amino]methyl]-3-fluorobenzoic acid

HRID 290219
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인쇄 미리보기

반응식

HRID 290219 반응식
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([F:32])[c:7]([CH2:10][N:11]([CH:12]2[C:13](=[O:21])[NH:14][CH2:15][CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)[cH:8][cH:9]1)=[O:33].[CH3:41][OH:42].[Na+:35].[OH-:34]>>[O:2]=[C:3]([c:4]1[cH:5][c:6]([F:32])[c:7]([CH2:10][N:11]([CH:12]2[C:13](=[O:21])[NH:14][CH2:15][CH2:16][C:17]([F:19])([F:20])[CH2:18]2)[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([Cl:31])[cH:29][cH:30]2)[cH:8][cH:9]1)[OH:33]
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참가 물질

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반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 68623347Methyl 4-[[(4-chlorophenyl)sulfonyl-(5,5-difluoro-2-oxoazepan-3-yl)amino]methyl]-3-fluorobenzoate

생성물 1

HCID 686243414-[[(4-Chlorophenyl)sulfonyl-(5,5-difluoro-2-oxoazepan-3-yl)amino]methyl]-3-fluorobenzoic acid

출처 및 근거

ORD 기록
ord-d71abc1dd3814d74a715bb724ffecd34
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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