HRID1226002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7403

4-tert-Butylbenzoic acid

C11H14O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)NC(=O)C(N)Cc1ccc(OCc2ccccc2)cc1

HCID22255921

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1

HCID18352025

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5127bb32e485465b9eb4d399e53f6305
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

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