HRID134981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7515

N-Methylaniline

C7H9N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

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

HCID57937298

未命名化合物

PRODUCTS

生成物

结构：CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCOCC1

HCID23659492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b2ee63f1107465f90d089299cbfaffe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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.[CH3:25][NH:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:33][N:34]([c:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1)[CH3:41].[CH3:42][C:43]#[N:44]>>[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:26]([CH3:25])[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[cH:20]2