HRID145445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2737256

4-(1H-Pyrrol-1-yl)benzoic acid

C11H9NO2

HCID58508425

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-c2ccccc2)cc1NC(=O)c1ccc(-n2cccc2)cc1

HCID67344178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-864e924534ea4c1db32a544cc406bff3
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

[CH2:55]([Cl:56])[Cl:57].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[ClH:41].[NH2:21][c:22]1[c:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][c:33](-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:34]1.[n:7]1(-[c:12]2[cH:13][cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20]2)[cH:8][cH:9][cH:10][cH:11]1>>[n:7]1(-[c:12]2[cH:13][cH:14][c:15]([C:16](=[O:18])[NH:21][c:22]3[c:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][c:33](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:34]3)[cH:19][cH:20]2)[cH:8][cH:9][cH:10][cH:11]1