HRID2329392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7940

Glutaric anhydride

C5H6O3

HCID8471

Triethylamine

C6H15N

结构：CC(C)CC(C(=O)NN)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178445350

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN1C(=O)CCCC1=O)C(CC=Cc1ccccc1)C(=O)OC(C)(C)C

HCID178445296

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faa83dd93eda4ad6a2bfd016e38c552a
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[NH:21][NH2:22])[CH2:23][CH:24]([CH3:25])[CH3:26].[C:27]1(=[O:34])[CH2:28][CH2:29][CH2:30][C:31](=[O:32])[O:33]1.[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]([CH2:9][CH:10]=[CH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([C:19](=[O:20])[NH:21][N:22]1[C:27](=[O:33])[CH2:28][CH2:29][CH2:30][C:31]1=[O:32])[CH2:23][CH:24]([CH3:25])[CH3:26]