Dimethyl Sulfoxide → N-{5-[4-Methanesulfonyl-3-(4-methyl-piperazin-1-yl)-phenyl]-4-methyl-thiazol-2-yl}-acetamide

반응식

[CH3:22][N:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:29][S:30]([CH3:31])=[O:32].[F:1][c:2]1[cH:3][c:4](-[c:12]2[c:13]([CH3:21])[n:14][c:15]([NH:17][C:18]([CH3:19])=[O:20])[s:16]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]>>[c:2]1([N:26]2[CH2:25][CH2:24][N:23]([CH3:22])[CH2:28][CH2:27]2)[cH:3][c:4](-[c:12]2[c:13]([CH3:21])[n:14][c:15]([NH:17][C:18]([CH3:19])=[O:20])[s:16]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 531671-Methylpiperazine

HCID 57351276N-[5-(3-fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]acetamide

생성물 1

HCID 86598412N-{5-[4-Methanesulfonyl-3-(4-methyl-piperazin-1-yl)-phenyl]-4-methyl-thiazol-2-yl}-acetamide

출처 및 근거

ORD 기록: ord-51b588d6cfc04ce1a8d18868acff2467
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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