HRID1222419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID241

Benzene

C6H6

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID87063

2,2,2-Trichloroethoxycarbonyl chloride

C3H2Cl4O2

HCID2773681

Diethyl [(benzylideneamino)methyl]phosphonate

C12H18NO3P

HCID178506676

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)C(N=Cc1ccccc1)C(=O)OCC(Cl)(Cl)Cl

HCID54407468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ecacdb43aa246209227d5c51b9013ef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:54]([O:55][CH2:56][CH3:57])(=[O:58])[CH3:59].[CH2:8]([O:9][CH2:10][CH3:11])[CH3:12].[CH3:50][C:51]([CH3:52])=[O:53].[CH:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[N:26][CH2:27][P:28]([O:29][CH2:30][CH3:31])([O:32][CH2:33][CH3:34])=[O:35].[Cl:36][C:37](=[O:38])[O:39][CH2:40][C:41]([Cl:42])([Cl:43])[Cl:44].[Li:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[cH:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[CH:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[N:26][CH:27]([P:28]([O:29][CH2:30][CH3:31])([O:32][CH2:33][CH3:34])=[O:35])[C:37](=[O:38])[O:39][CH2:40][C:41]([Cl:42])([Cl:43])[Cl:44]