Dimethyl Sulfoxide → alpha-(Anilinomethylene)-3,5-bis(dimethylamino)-4-methoxyhydrocinnamonitrile

반응식

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

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 141003-Anilinopropionitrile

HCID 544065843,5-Bis(dimethylamino)-4-methoxy-alpha-[(methylsulfonyl)methyl]benzyl alcohol

생성물 1

HCID 70571882alpha-(Anilinomethylene)-3,5-bis(dimethylamino)-4-methoxyhydrocinnamonitrile

출처 및 근거

ORD 기록: ord-e7950afb605c45d3a02cf921d8a9169b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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