HRID199664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID102568

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1

HCID14082452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-496e8b7bbf4848e5886dec1f62f089d2
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

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