Dimethyl Sulfoxide → alpha-(Anilinomethyl)-3,4,5-tris(dimethylamino)hydrocinnamonitrile

HRID 114629

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

참가 물질

반응물 3

HCID 679Dimethyl Sulfoxide

HCID 141003-Anilinopropionitrile

HCID 539878893,4,5-Tris(dimethylamino)-alpha-[(methylsulfonyl)methyl]benzyl alcohol

생성물 1

HCID 54380707alpha-(Anilinomethyl)-3,4,5-tris(dimethylamino)hydrocinnamonitrile

출처 및 근거

ORD 기록: ord-b91d11e917044f92b478a3b2d19eb8fd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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