HRID180402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID32743

3-Butenoic acid

C4H6O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID69077313

未命名化合物

PRODUCTS

生成物

HCID69073467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9a1722ade224b47a63e8237d781074a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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