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

HRID 1130757
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반응식

HRID 1130757 반응식
[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[S:13]3)[nH:10][c:11]12)[S:23](=[O:24])(=[O:25])[c:26]1[s:27][cH:28][cH:29][cH:30]1.[K+:32].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:31].[OH:33][C:34]([CH2:35][C:36]([C:37](=[O:38])[OH:39])([CH2:40][C:41](=[O:42])[OH:43])[OH:44])=[O:45]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][cH:6][c:7]2[cH:8][c:9]([C:12]3=[N:16][CH2:15][CH:14]([CH2:17][C:18](=[O:19])[OH:20])[S:13]3)[nH:10][c:11]12)[S:23](=[O:24])(=[O:25])[c:26]1[s:27][cH:28][cH:29][cH:30]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 311Citric AcidHCID 813Potassium CationHCID 961HydroxideHCID 8028TetrahydrofuranHCID 57476282Ethyl(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetate

생성물 1

HCID 59135943(2-(7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetic acid

출처 및 근거

ORD 기록
ord-27059326c65145609600f1c06a8bcd93
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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