2-Butanamine, 3,3-dimethyl- → 2-(4-Chlorophenylsulfonyl)-3-(3-cyanophenylamino)-3-(1,2,2-trimethylpropylamino)-2-propenenitrile

반응식

[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]([C:12]#[N:13])=[C:14]([S:15][CH3:16])[NH:17][c:18]2[cH:19][c:20]([C:24]#[N:25])[cH:21][cH:22][cH:23]2)[cH:6][cH:7]1.[NH2:26][CH:27]([CH3:28])[C:29]([CH3:30])([CH3:31])[CH3:32]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[C:11]([C:12]#[N:13])=[C:14]([NH:17][c:18]2[cH:19][c:20]([C:24]#[N:25])[cH:21][cH:22][cH:23]2)[NH:26][CH:27]([CH3:28])[C:29]([CH3:30])([CH3:31])[CH3:32])[cH:6][cH:7]1

참가 물질

반응물 2

HCID 5209072-Butanamine, 3,3-dimethyl-

HCID 701506282-(4-Chlorophenylsulfonyl)-3-(3-cyanophenylamino)-3-methylsulfanyl-2-propenenitrile

생성물 1

HCID 701503332-(4-Chlorophenylsulfonyl)-3-(3-cyanophenylamino)-3-(1,2,2-trimethylpropylamino)-2-propenenitrile

출처 및 근거

ORD 기록: ord-fc587ca205f7459b9af80339ddbbb107
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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