HRID1539013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10057801

2-(4-aminophenyl)-2-methylpropanenitrile

C10H12N2

结构：Cc1nc2c(o1)c(C(=O)O)cc1nc(Nc3c(Cl)cccc3Cl)[nH]c12

HCID178432356

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2c(o1)c(C(=O)Nc1ccc(C(C)(C)C#N)cc1)cc1nc(Nc3c(Cl)cccc3Cl)[nH]c12

HCID178432347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5baa5c108fc24a2ebceed7eac7fc7108
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

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