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Ethanol → 3-[{(4-({Cyclohexyl[3-methyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid

HRID 932797
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반응식

HRID 932797 반응식
[CH3:47][CH2:48][OH:49].[CH:1]1([CH:7]([c:8]2[c:9]([CH3:21])[c:10]3[n:11][cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][c:15]3[s:16]2)[NH:22][c:23]2[cH:24][cH:25][c:26]([C:29](=[O:30])[N:31]([CH2:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[CH3:39])[cH:27][cH:28]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:46].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:45]>>[CH:1]1([CH:7]([c:8]2[c:9]([CH3:21])[c:10]3[n:11][cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][c:15]3[s:16]2)[NH:22][c:23]2[cH:24][cH:25][c:26]([C:29](=[O:30])[N:31]([CH2:32][CH2:33][C:34](=[O:35])[OH:36])[CH3:39])[cH:27][cH:28]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 66778557Ethyl 3-[{[4-({cyclohexyl[3-methyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

생성물 1

HCID 66778541
3-[{(4-({Cyclohexyl[3-methyl-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid

출처 및 근거

ORD 기록
ord-3771fb66c7bc4a9b87b217e5ff2eb8e8
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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