HRID145040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID72899

Indole-2-carboxylic acid

C9H7NO2

结构：COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1N

HCID20817034

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2[nH]1

HCID20817081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dcc88ae60844cb9bae414d452bd8004
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

[Cl:13][C:14]([C:15]([Cl:16])=[O:17])=[O:18].[Cl:56][CH2:57][Cl:58].[NH2:24][c:25]1[c:26]([O:54][CH3:55])[cH:27][c:28](-[c:31]2[n:32][n:33]([CH:41]3[CH2:42][CH2:43][CH:44]([N:47]4[CH2:48][CH2:49][N:50]([CH3:53])[CH2:51][CH2:52]4)[CH2:45][CH2:46]3)[c:34]3[n:35][cH:36][n:37][c:38]([NH2:40])[c:39]23)[cH:29][cH:30]1.[O:19]=[CH:20][N:21]([CH3:22])[CH3:23].[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1.[nH:1]1[c:2]([C:10](=[O:11])[OH:12])[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[c:2]([C:10](=[O:12])[NH:24][c:25]2[c:26]([O:54][CH3:55])[cH:27][c:28](-[c:31]3[n:32][n:33]([CH:41]4[CH2:42][CH2:43][CH:44]([N:47]5[CH2:48][CH2:49][N:50]([CH3:53])[CH2:51][CH2:52]5)[CH2:45][CH2:46]4)[c:34]4[n:35][cH:36][n:37][c:38]([NH2:40])[c:39]34)[cH:29][cH:30]2)[cH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12