HRID294959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID123572

3,4-Difluorobenzylamine

C7H7F2N

结构：COC(=O)c1c(C(=O)O)c2ccc(OC)cc2n1Cc1ccccn1

HCID59762357

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC)cc2n1Cc1ccccn1

HCID59762310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e600eb4d298c4e8f82e7d694ae188b68
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

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