HRID2135822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID136333

Isoxazolidine

C3H7NO

结构：CC(C)(C)c1nc2cc(S(=O)(=O)Cl)ccc2n1CC1CCOCC1

HCID57937298

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc2cc(S(=O)(=O)N3CCCO3)ccc2n1CC1CCOCC1

HCID23659299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-440e929edf9546c4919e89548c9ffd55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1)[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[Cl:24])[cH:20]2.[CH3:40][N:41]([c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1)[CH3:48].[CH3:49][C:50]#[N:51].[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[ClH:25].[O:26]1[NH:27][CH2:28][CH2:29][CH2:30]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]2[c:8]([n:9]1[CH2:10][CH:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16]1)[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[N:27]1[O:26][CH2:30][CH2:29][CH2:28]1)[cH:20]2