HRID2327583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8078

Cyclohexane

C6H12

HCID24386

Thionyl chloride

Cl2OS

HCID26608

2,3-Dimethylbutanoic acid

C6H12O2

结构：O=c1c(-c2ccc(Cl)cc2)c2c(cn1CO)Sc1ccc(Cl)cc1N2

HCID20426903

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(C)C(=O)OCn1cc2c(c(-c3ccc(Cl)cc3)c1=O)Nc1cc(Cl)ccc1S2

HCID20426899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b360bf219617453e876e3ed541a25f77
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

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