HRID312075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID12805128

2-(3-Bromophenyl)-2-methylpropanoic acid

C10H11BrO2

结构：CC(=O)Nc1nc2ccc(Oc3cccc(N)c3)c(C#N)c2s1

HCID86644686

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)C(C)(C)c4cccc(Br)c4)c3)c(C#N)c2s1

HCID59454477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57708d1c7c10490eaea18abf20603e82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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