2-Butanamine, 3,3-dimethyl- → 2-(4-Chlorophenylsulfonyl)-3-(3,5-dimethoxyphenylamino)-3-(1,2,2-trimethylpropylamino)-2-propenenitrile

HRID 1143017

반응식

HRID 1143017 반응식
[CH3:28][CH:29]([C:30]([CH3:31])([CH3:32])[CH3:33])[NH2:34].[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]([O:26][CH3:27])[cH:21][c:22]([O:24][CH3:25])[cH:23]2)[cH:6][cH:7]1>>[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]([O:26][CH3:27])[cH:21][c:22]([O:24][CH3:25])[cH:23]2)[NH:34][CH:29]([CH3:28])[C:30]([CH3:31])([CH3:32])[CH3:33])[cH:6][cH:7]1

참가 물질

3

반응물 2

HCID 5209072-Butanamine, 3,3-dimethyl-HCID 701503682-(4-Chlorophenylsulfonyl)-3-(3,5-dimethoxyphenylamino)-3-methylsulfanyl-2-propenenitrile

생성물 1

HCID 701497732-(4-Chlorophenylsulfonyl)-3-(3,5-dimethoxyphenylamino)-3-(1,2,2-trimethylpropylamino)-2-propenenitrile

출처 및 근거

ORD 기록
ord-c070e1e92d9f4b94ade7c830bfea2576
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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