HRID105884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

HCID8082

Piperidine

C5H11N

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(C=O)c(Cl)cc2F)c1=O

HCID21201252

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)C(C#N)=Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

HCID57076532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-108198e9650841e388d1d6455eac2e39
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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