HRID697252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID12774812

未命名化合物

HCID12909341

3-Chloro-5-methoxybenzoic acid

C8H7ClO3

PRODUCTS

生成物

结构：COC(=O)CCN(C(=O)c1cc(Cl)cc(OC)c1)C(C)C

HCID69948825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-951ac1a98f164ffb86a2c18497240306
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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