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Citric Acid → {2-[7-[(2-thienylsulfonyl)amino]-5-(trifluoromethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetic acid

HRID 1139854
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반응식

HRID 1139854 반응식
[CH3:55][CH2:56][OH:57].[Na+:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:35].[OH:42][C:43]([CH2:44][C:45]([C:46](=[O:47])[OH:48])([CH2:49][C:50](=[O:51])[OH:52])[OH:53])=[O:54].[s:1]1[c:2]([S:6](=[O:7])(=[O:8])[NH:9][c:10]2[cH:11][c:12]([O:30][C:31]([F:32])([F:33])[F:34])[cH:13][c:14]3[cH:15][c:16]([C:19]4=[N:23][CH2:22][CH:21]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])[S:20]4)[nH:17][c:18]23)[cH:3][cH:4][cH:5]1>>[s:1]1[c:2]([S:6](=[O:7])(=[O:8])[NH:9][c:10]2[cH:11][c:12]([O:30][C:31]([F:32])([F:33])[F:34])[cH:13][c:14]3[cH:15][c:16]([C:19]4=[N:23][CH2:22][CH:21]([CH2:24][C:25](=[O:26])[OH:27])[S:20]4)[nH:17][c:18]23)[cH:3][cH:4][cH:5]1
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참가 물질

7

반응물 6

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 57476351ethyl{2-(7-[(2-thienylsulfonyl)amino]-5-(trifluoromethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetate

생성물 1

HCID 59135925
{2-[7-[(2-thienylsulfonyl)amino]-5-(trifluoromethoxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetic acid

출처 및 근거

ORD 기록
ord-3c0487be02104230a2267153e235c4bc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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