HRID163769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID59318459

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)N1C(=O)CCC1Cc1ccc(-c2ccccc2)cc1

HCID66739141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0ea10407e5e947e59015665f2d13b3d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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