HRID202066

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID225219

p-Aminophenylacetic acid ethyl ester

C10H13NO2

结构：O=C(O)C(CC1CCCCC1)NS(=O)(=O)c1ccc(Cl)cc1

HCID19032804

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(NC(=O)C(CC2CCCCC2)NS(=O)(=O)c2ccc(Cl)cc2)cc1

HCID19032835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87b650a8a47a4885ae06cac70e8f8288
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:44]([Cl:45])(=[O:46])[C:47]([CH3:48])([CH3:49])[CH3:50].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]([C:13](=[O:14])[OH:15])[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7]1.[ClH:23].[NH2:24][c:25]1[cH:26][cH:27][c:28]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][CH:12]([C:13](=[O:15])[NH:24][c:25]2[cH:26][cH:27][c:28]([CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:29][cH:30]2)[CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7]1