HRID1226520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8005

1-Chlorobutane

C4H9Cl

HCID8058

n-Hexane

C6H14

HCID13072161

Methyl (4-methoxy-6-methylpyrimidin-2-yl)carbamate

C8H11N3O3

HCID13455419

2,2-Dimethyl-2H-1,3-benzodioxole-4-sulfonamide

C9H11NO4S

HCID16682925

Aluminum, trimethyl-

C3H9Al

PRODUCTS

生成物

结构：COc1cc(C)nc(NC(=O)NS(=O)(=O)c2cccc3c2OC(C)(C)O3)n1

HCID13455420

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c343af08e1cb421e82054fc96d8fcd58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:35]([Cl:36])[Cl:37].[CH2:44]([Cl:45])[CH2:46][CH2:47][CH3:48].[CH3:16][Al:17]([CH3:18])[CH3:19].[CH3:1][C:2]1([CH3:15])[O:3][c:4]2[c:5]([cH:7][cH:8][cH:9][c:10]2[S:11](=[O:12])(=[O:13])[NH2:14])[O:6]1.[CH3:20][O:21][c:22]1[n:23][c:24]([NH:29][C:30]([O:31][CH3:33])=[O:32])[n:25][c:26]([CH3:28])[cH:27]1.[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH3:49][C:50](=[O:51])[OH:52].[ClH:34].[OH2:53]>>[CH3:1][C:2]1([CH3:15])[O:3][c:4]2[c:5]([cH:7][cH:8][cH:9][c:10]2[S:11](=[O:12])(=[O:13])[NH:14][C:30]([NH:29][c:24]2[n:23][c:22]([O:21][CH3:20])[cH:27][c:26]([CH3:28])[n:25]2)=[O:31])[O:6]1