HRID1549019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24648

Sulfuryl chloride

Cl2O2S

结构：NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)OCc1ccccc1

HCID178510780

未命名化合物

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)C1CCCN1C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1

HCID178525038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06fa412351c346cd86619fa069eaa16b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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