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Citric Acid → 5-methyl-2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazole-5-carboxamide

HRID 1142909
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인쇄 미리보기

반응식

HRID 1142909 반응식
[C:1](#[N:2])[C:3]1([CH3:27])[CH2:4][N:5]=[C:6]([c:8]2[nH:9][c:10]3[c:11]([N:17]([S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[CH3:26])[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[S:7]1.[CH3:48][CH2:49][OH:50].[Na+:29].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH-:28].[OH:35][C:36]([CH2:37][C:38]([C:39](=[O:40])[OH:41])([CH2:42][C:43](=[O:44])[OH:45])[OH:46])=[O:47]>>[C:1]([NH2:2])([C:3]1([CH3:27])[CH2:4][N:5]=[C:6]([c:8]2[nH:9][c:10]3[c:11]([N:17]([S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[CH3:26])[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[S:7]1)=[O:30]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 59135902N-[2-(5-cyano-5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide

생성물 1

HCID 57476278
5-methyl-2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazole-5-carboxamide

출처 및 근거

ORD 기록
ord-552d2d6bd4a348f5b8c0dda8c2aba38e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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