Dimethyl Sulfoxide → 4'-(3-anilino-2-cyanoallyl)-2',6'-bis(dimethylamino)-N-methylacetanilide

반응식

[CH3:1][N:2]([c:3]1[c:4]([N:5]([C:6]([CH3:7])=[O:8])[CH3:9])[c:10]([N:21]([CH3:22])[CH3:23])[cH:11][c:12]([CH:14]([OH:15])[CH2:16][S:17]([CH3:18])(=[O:19])=[O:20])[cH:13]1)[CH3:24].[CH3:36][S:37]([CH3:38])=[O:39].[NH:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:32][CH2:33][C:34]#[N:35]>>[CH3:1][N:2]([c:3]1[c:4]([N:5]([C:6]([CH3:7])=[O:8])[CH3:9])[c:10]([N:21]([CH3:22])[CH3:23])[cH:11][c:12]([CH2:14][C:33](=[CH:32][NH:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[C:34]#[N:35])[cH:13]1)[CH3:24]

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 141003-Anilinopropionitrile

HCID 202904332',6'-bis(dimethylamino)-4'-[1-hydroxy-2-(methylsulfonyl)ethyl]-N-methylacetanilide

생성물 1

HCID 705701704'-(3-anilino-2-cyanoallyl)-2',6'-bis(dimethylamino)-N-methylacetanilide

출처 및 근거

ORD 기록: ord-8b005742ae5f4ff4b2078775b6d25650
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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