HRID144597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID51358553

5-Bromo-1,3-benzoxazole-2-carboxylic acid

C8H4BrNO3

结构：CC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1N

HCID59535972

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1nc2cc(Br)ccc2o1

HCID67207536

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1be994d28bb24c7e993d14200636c8f5
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

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