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Acetone → 4-[3-[6-(3-Acetyl-5-trifluoromethanesulfonyloxy-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy]-butyric acid ethyl ester

HRID 2312398
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HRID 2312398 반응식
[C:19](=[O:20])([O-:21])[O-:22].[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([O:11][S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[cH:7][c:8]([OH:10])[cH:9]1.[CH2:25]([CH3:26])[O:27][C:28]([CH2:29][CH2:30][CH2:31][O:32][c:33]1[c:34]([CH2:46][CH2:47][C:48](=[O:49])[O:50][CH2:51][CH3:52])[c:35]([CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][Br:45])[cH:36][cH:37][cH:38]1)=[O:53].[CH3:54][C:55](=[O:56])[CH3:57].[K+:23].[K+:24].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([O:11][S:12](=[O:13])(=[O:14])[C:15]([F:16])([F:17])[F:18])[cH:7][c:8]([O:10][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][c:35]2[c:34]([CH2:46][CH2:47][C:48](=[O:49])[O:50][CH2:51][CH3:52])[c:33]([O:32][CH2:31][CH2:30][CH2:29][C:28]([O:27][CH2:25][CH3:26])=[O:53])[cH:38][cH:37][cH:36]2)[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 180AcetoneHCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 575864914-[3-(6-Bromo-hexyl)-2-(ethoxycarbonyl-ethyl)-phenoxy]-butyric acid ethyl esterHCID 59833966Trifluoro-methanesulfonic acid 3-acetyl-5-hydroxy-phenyl ester

생성물 1

HCID 59496845
4-[3-[6-(3-Acetyl-5-trifluoromethanesulfonyloxy-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy]-butyric acid ethyl ester

출처 및 근거

ORD 기록
ord-f41e286032c347b8b7113f85eaaf15f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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