HRID1234345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：CC(C)(C)c1ccc(COc2cccc(C(=O)Nc3ccccc3S(N)(=O)=O)c2)cc1

HCID12041309

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)NS(=O)(=O)c1ccccc1NC(=O)c1cccc(OCc2ccc(C(C)(C)C)cc2)c1

HCID18544137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2f98126145f4ab4bbc193789fcfbd24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[Cl:7].[C:8]([CH3:9])([CH3:10])([CH3:11])[c:12]1[cH:13][cH:14][c:15]([CH2:16][O:17][c:18]2[cH:19][c:20]([C:21](=[O:22])[NH:23][c:24]3[c:25]([S:30]([NH2:31])(=[O:32])=[O:33])[cH:26][cH:27][cH:28][cH:29]3)[cH:34][cH:35][cH:36]2)[cH:37][cH:38]1.[CH3:39][N:40]([CH3:41])[c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[NH:31][S:30]([c:25]1[c:24]([NH:23][C:21]([c:20]2[cH:19][c:18]([O:17][CH2:16][c:15]3[cH:14][cH:13][c:12]([C:8]([CH3:9])([CH3:10])[CH3:11])[cH:38][cH:37]3)[cH:36][cH:35][cH:34]2)=[O:22])[cH:29][cH:28][cH:27][cH:26]1)(=[O:32])=[O:33]