Dimethylformamide → 4-(1,1-Dimethylethyl)-N-[5-[[[3-[[4-(2-pyrimidinyl)piperazin-1-yl]carbonyl]-4-methylphenyl]thio]methyl]thiazol-2-yl]benzamide

HRID 134529

반응식

HRID 134529 반응식
[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[s:13][c:14]([CH2:17][S:18][c:19]3[cH:20][cH:21][c:22]([CH3:28])[c:23]([C:24](=[O:25])[OH:26])[cH:27]3)[cH:15][n:16]2)[cH:29][cH:30]1.[CH3:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[n:31]1[c:32]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[n:33][cH:34][cH:35][cH:36]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[s:13][c:14]([CH2:17][S:18][c:19]3[cH:20][cH:21][c:22]([CH3:28])[c:23]([C:24](=[O:25])[N:40]4[CH2:39][CH2:38][N:37]([c:32]5[n:31][cH:36][cH:35][cH:34][n:33]5)[CH2:42][CH2:41]4)[cH:27]3)[cH:15][n:16]2)[cH:29][cH:30]1

참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 887471-(2-Pyrimidinyl)piperazineHCID 221704385-[[[2-[[4-(1,1-Dimethylethyl)benzoyl]amino]thiazol-5-yl]methyl]thio]-2-methylbenzoic acid

생성물 1

HCID 221704044-(1,1-Dimethylethyl)-N-[5-[[[3-[[4-(2-pyrimidinyl)piperazin-1-yl]carbonyl]-4-methylphenyl]thio]methyl]thiazol-2-yl]benzamide

출처 및 근거

ORD 기록
ord-24fa71639eeb4b36adaf9d9130adda5d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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