HRID143853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID62324

Propanoyl chloride

C3H5ClO

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：COc1cc(OC(F)(F)F)ccc1-c1nc(OC)c(N)cc1C

HCID22490046

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(=O)Nc1cc(C)c(-c2ccc(OC(F)(F)F)cc2OC)nc1OC

HCID21104864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0c0deb791d174ab386c488eff4fa6e23
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

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