HRID135449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

结构：CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc(N)nc3)c2)c1

HCID57386822

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cccc(NC(=O)c4cccc(C(C)(C)C#N)c4)c3)cn2)cc1

HCID57387817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23eeb8a218094126bd3b164a0329ba2e
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

[CH3:29][c:30]1[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[Cl:39])[cH:34][cH:35]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([NH:15][C:16]([c:17]3[cH:18][c:19]([C:23]([CH3:24])([CH3:25])[C:26]#[N:27])[cH:20][cH:21][cH:22]3)=[O:28])[cH:12][cH:13][cH:14]2)[cH:6][n:7]1.[OH2:40].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:8][c:9]2[cH:10][c:11]([NH:15][C:16]([c:17]3[cH:18][c:19]([C:23]([CH3:24])([CH3:25])[C:26]#[N:27])[cH:20][cH:21][cH:22]3)=[O:28])[cH:12][cH:13][cH:14]2)[cH:6][n:7]1)[S:36]([c:33]1[cH:32][cH:31][c:30]([CH3:29])[cH:35][cH:34]1)(=[O:37])=[O:38]