HRID213075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID5130673

1H-pyrazole-4-carbaldehyde

C4H4N2O

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

HCID57937307

未命名化合物

PRODUCTS

生成物

结构：CCC(C)(C)c1nc2cc(S(=O)(=O)n3cc(C=O)cn3)ccc2n1CC1CCOCC1

HCID57937341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-abac8b3523ef4818a4dd832496923f26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][C:2]([CH2:3][CH3:4])([CH3:5])[c:6]1[n:7][c:8]2[c:9]([n:10]1[CH2:11][CH:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1)[cH:18][cH:19][c:20]([S:22](=[O:23])(=[O:24])[Cl:25])[cH:21]2.[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].[nH:26]1[n:27][cH:28][c:29]([CH:31]=[O:32])[cH:30]1>>[CH3:1][C:2]([CH2:3][CH3:4])([CH3:5])[c:6]1[n:7][c:8]2[c:9]([n:10]1[CH2:11][CH:12]1[CH2:13][CH2:14][O:15][CH2:16][CH2:17]1)[cH:18][cH:19][c:20]([S:22](=[O:23])(=[O:24])[n:26]1[n:27][cH:28][c:29]([CH:31]=[O:32])[cH:30]1)[cH:21]2