HRID1559391

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

HCID2764100

6-(1H-Pyrrol-1-yl)nicotinic acid

C10H8N2O2

HCID58508624

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(CCc2ccccc2)cc1NC(=O)c1ccc(-n2cccc2)nc1

HCID67342233

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2820401a418842efbd31c63876086fae
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:57]([Cl:58])[Cl:59].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[ClH:43].[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]([CH2:35][CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:34]1.[n:7]1(-[c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[OH:20])[cH:16][n:17]2)[cH:8][cH:9][cH:10][cH:11]1>>[n:7]1(-[c:12]2[cH:13][cH:14][c:15]([C:18](=[O:20])[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]([CH2:35][CH2:36][c:37]4[cH:38][cH:39][cH:40][cH:41][cH:42]4)[cH:34]3)[cH:16][n:17]2)[cH:8][cH:9][cH:10][cH:11]1