HRID1128401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：CC1CN(C(=O)COc2ccc(Cl)cc2S(N)(=O)=O)C(C)CN1Cc1ccc(F)cc1

HCID21973400

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)COc2ccc(Cl)cc2S(=O)(=O)NC(=O)C(C)(C)C)C(C)CN1Cc1ccc(F)cc1

HCID21973446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21decb65ce2642b18c1991798e6e3179
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:32][C:33]([C:34](=[O:35])[Cl:36])([CH3:37])[CH3:38].[CH3:39][C:40]#[N:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:12][CH2:13][C:14](=[O:15])[N:16]2[CH:17]([CH3:31])[CH2:18][N:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH:20]([CH3:22])[CH2:21]2)[c:6]([S:8](=[O:9])(=[O:10])[NH2:11])[cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:12][CH2:13][C:14](=[O:15])[N:16]2[CH:17]([CH3:31])[CH2:18][N:19]([CH2:23][c:24]3[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]3)[CH:20]([CH3:22])[CH2:21]2)[c:6]([S:8](=[O:9])(=[O:10])[NH:11][C:34]([C:33]([CH3:32])([CH3:37])[CH3:38])=[O:35])[cH:7]1