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Water → 2-(5-methyl-2-{7-(methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)ethyl methanesulfonate

HRID 311417
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HRID 311417 반응식
[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][S:37]([Cl:38])(=[O:39])=[O:40].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:41].[OH:1][CH2:2][CH2:3][C:4]1([CH3:28])[CH2:5][N:6]=[C:7]([c:9]2[nH:10][c:11]3[c:12]([N:18]([S:19](=[O:20])(=[O:21])[c:22]4[s:23][cH:24][cH:25][cH:26]4)[CH3:27])[cH:13][cH:14][cH:15][c:16]3[cH:17]2)[S:8]1>>[O:1]([CH2:2][CH2:3][C:4]1([CH3:28])[CH2:5][N:6]=[C:7]([c:9]2[nH:10][c:11]3[c:12]([N:18]([S:19](=[O:20])(=[O:21])[c:22]4[s:23][cH:24][cH:25][cH:26]4)[CH3:27])[cH:13][cH:14][cH:15][c:16]3[cH:17]2)[S:8]1)[S:37]([CH3:36])(=[O:39])=[O:40]
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참가 물질

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반응물 5

HCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 57476112N-{2-[5-(2-hydroxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl}-N-methylthiophene-2-sulfonamide

생성물 1

HCID 59135829
2-(5-methyl-2-{7-(methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)ethyl methanesulfonate

출처 및 근거

ORD 기록
ord-74777f3a7c334b2bbbe6b46fc745db8c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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