Water → N,N-dimethyl-2-{4-[(2-{7-[(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide

HRID 2138708

반응식

HRID 2138708 반응식
[CH3:26][N:27]([C:28]([CH2:29][N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1)=[O:36])[CH3:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl:1][CH2:2][c:3]1[cH:4][n:5][c:6](-[c:8]2[nH:9][c:10]3[c:11]([NH:17][S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[s:7]1.[OH2:45]>>[CH2:2]([c:3]1[cH:4][n:5][c:6](-[c:8]2[nH:9][c:10]3[c:11]([NH:17][S:18](=[O:19])(=[O:20])[c:21]4[s:22][cH:23][cH:24][cH:25]4)[cH:12][cH:13][cH:14][c:15]3[cH:16]2)[s:7]1)[N:33]1[CH2:32][CH2:31][N:30]([CH2:29][C:28]([N:27]([CH3:26])[CH3:37])=[O:36])[CH2:35][CH2:34]1

참가 물질

6

반응물 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 2758642N,N-dimethyl-2-(piperazin-1-yl)acetamideHCID 57476122HCID 57476122, 화합물

생성물 1

HCID 59136046N,N-dimethyl-2-{4-[(2-{7-[(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide

출처 및 근거

ORD 기록
ord-24741357bb014e72b42d82083892af53
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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