Pyridine → N-(2-{5-[(4-acetylpiperazin-1-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl)-N-methylthiophene-2-sulfonamide

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][C:22]([CH2:25][N:26]4[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]4)([CH3:32])[S:21]3)[nH:18][c:19]12.[CH3:33][C:34](=[O:35])[O:36][C:37](=[O:38])[CH3:39].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[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][C:22]([CH2:25][N:26]4[CH2:27][CH2:28][N:29]([C:34]([CH3:33])=[O:35])[CH2:30][CH2:31]4)([CH3:32])[S:21]3)[nH:18][c:19]12

참가 물질

반응물 3

HCID 1049Pyridine

HCID 7918Acetic Anhydride

HCID 57476116HCID 57476116, 화합물

생성물 1

HCID 59136040N-(2-{5-[(4-acetylpiperazin-1-yl)methyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-yl}-1H-indol-7-yl)-N-methylthiophene-2-sulfonamide

출처 및 근거

ORD 기록: ord-c771b7c90f4c4aa6a2072271c9297b8e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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