HRID2314071

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

HCID27695

1-Methyl-1H-indole-2-carboxylic acid

C10H9NO2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

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)c1cc2ccccc2n1C

HCID9549183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c72da8b1a5f4d408cafb648483b7a21
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

[CH3:1][n:2]1[c:3]([C:11](=[O:12])[OH:13])[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[Cl:57][CH2:58][Cl:59].[NH2:25][c:26]1[c:27]([O:55][CH3:56])[cH:28][c:29](-[c:32]2[n:33][n:34]([CH:42]3[CH2:43][CH2:44][CH:45]([N:48]4[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]4)[CH2:46][CH2:47]3)[c:35]3[n:36][cH:37][n:38][c:39]([NH2:41])[c:40]23)[cH:30][cH:31]1.[O:20]=[CH:21][N:22]([CH3:23])[CH3:24].[cH:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1>>[CH3:1][n:2]1[c:3]([C:11](=[O:13])[NH:25][c:26]2[c:27]([O:55][CH3:56])[cH:28][c:29](-[c:32]3[n:33][n:34]([CH:42]4[CH2:43][CH2:44][CH:45]([N:48]5[CH2:49][CH2:50][N:51]([CH3:54])[CH2:52][CH2:53]5)[CH2:46][CH2:47]4)[c:35]4[n:36][cH:37][n:38][c:39]([NH2:41])[c:40]34)[cH:30][cH:31]2)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12