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Ethanol → N-(2-{5-[2-(1,1-dioxidothiomorpholino)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl)-N-methylthiophene-2-sulfonamide

HRID 283645
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HRID 283645 반응식
[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[s:7][cH:8][cH:9][cH:10]1)[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][c:17]([C:20]3=[N:24][CH2:23][CH:22]([CH2:25][C:26]([N:27]4[CH2:28][CH2:29][S:30][CH2:31][CH2:32]4)=[O:33])[S:21]3)[nH:18][c:19]12.[CH3:46][CH2:47][OH:48].[Na+:38].[Na+:39].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:40].[S:34](=[O:35])([O-:36])[O-:37]>>[CH3:1][N:2]([S:3](=[O:4])(=[O:5])[c:6]1[s:7][cH:8][cH:9][cH:10]1)[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][c:17]([C:20]3=[N:24][CH2:23][CH:22]([CH2:25][C:26]([N:27]4[CH2:28][CH2:29][S:30](=[O:35])(=[O:40])[CH2:31][CH2:32]4)=[O:33])[S:21]3)[nH:18][c:19]12
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반응물 6

HCID 702EthanolHCID 923Sodium Ion2회HCID 962WaterHCID 1099SulfiteHCID 8028TetrahydrofuranHCID 57476373N-methyl-N-{2-[5-(2-oxo-2-thiomorpholinoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl}thiophene-2-sulfonamide

생성물 1

HCID 59135997
N-(2-{5-[2-(1,1-dioxidothiomorpholino)-2-oxoethyl]-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl)-N-methylthiophene-2-sulfonamide

출처 및 근거

ORD 기록
ord-2523e065430f4a32b9fba92f8c8817f2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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