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

HRID 702401
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HRID 702401 반응식
[CH3:1][O:2][c:3]1[c:4]([S:9](=[O:10])(=[O:11])[N:12]([c:13]2[cH:14][cH:15][cH:16][c:17]3[cH:18][c:19]([C:22]4=[N:26][CH2:25][CH:24]([CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[S:23]4)[nH:20][c:21]23)[CH3:33])[cH:5][cH:6][cH:7][cH:8]1.[K+:35].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:34].[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48]>>[CH3:1][O:2][c:3]1[c:4]([S:9](=[O:10])(=[O:11])[N:12]([c:13]2[cH:14][cH:15][cH:16][c:17]3[cH:18][c:19]([C:22]4=[N:26][CH2:25][CH:24]([CH2:27][C:28](=[O:29])[OH:30])[S:23]4)[nH:20][c:21]23)[CH3:33])[cH:5][cH:6][cH:7][cH:8]1
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반응물 5

HCID 311Citric AcidHCID 813Potassium CationHCID 961HydroxideHCID 8028TetrahydrofuranHCID 59135846Ethyl(2-{7-[[(2-methoxyphenyl)sulfonyl](methyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetate

생성물 1

HCID 59135901
(2-{7-[[(2-methoxyphenyl)sulfonyl](methyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetic acid

출처 및 근거

ORD 기록
ord-0493f03256f2467f96ae1ff84772c078
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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