HRID2337722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID10560

2-Butanethiol

C4H10S

HCID24386

Thionyl chloride

Cl2OS

HCID246390

N-(2,2,2-trichloro-1-hydroxyethyl)nicotinamide

C8H7Cl3N2O2

HCID20207309

未命名化合物

PRODUCTS

生成物

HCID13850621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f0830cf733e4107827ebe39f4509904
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:40](=[O:41])([OH:42])[O-:43].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH:35]([CH3:36])([CH2:37][CH3:38])[SH:39].[Cl:20][CH:21]([NH:22][C:23](=[O:24])[c:25]1[cH:26][cH:27][cH:28][n:29][cH:30]1)[C:31]([Cl:32])([Cl:33])[Cl:34].[Na+:44].[OH:1][CH:2]([C:3]([Cl:4])([Cl:5])[Cl:6])[NH:7][C:8]([c:9]1[cH:10][n:11][cH:12][cH:13][cH:14]1)=[O:15].[S:16]([Cl:17])([Cl:18])=[O:19].[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH:2]([C:3]([Cl:4])([Cl:5])[Cl:6])([NH:7][C:8]([c:9]1[cH:10][n:11][cH:12][cH:13][cH:14]1)=[O:15])[S:39][CH:35]([CH3:36])[CH2:37][CH3:38]