HRID116123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6342

Acetonitrile

C2H3N

HCID28179

Fluoride

F-

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

HCID22677481

Methyl 4-(acetylamino)-3,6-dichloro-2-pyridinecarboxylate

C9H8Cl2N2O3

结构：COc1c(C(F)(F)F)cc[c]([Sn]([CH3])([CH3])[CH3])c1F

HCID68810358

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nc(-c2ccc(C(F)(F)F)c(OC)c2F)cc(NC(C)=O)c1Cl

HCID68811034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bad88db01a244619fb92a23a7bfc700
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:69]([O-:70])(=[O:71])[CH3:72].[C:74]([O-:75])(=[O:76])[CH3:77].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([Cl:16])[cH:8][c:9]([NH:12][C:13]([CH3:14])=[O:15])[c:10]1[Cl:11].[CH3:66][C:67]#[N:68].[Cs+:35].[F-:34].[F:17][c:18]1[c:19]([Sn:30]([CH3:31])([CH3:32])[CH3:33])[cH:20][cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[c:23]1[O:24][CH3:25].[Pd+2:73].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7](-[c:19]2[c:18]([F:17])[c:23]([O:24][CH3:25])[c:22]([C:26]([F:27])([F:28])[F:29])[cH:21][cH:20]2)[cH:8][c:9]([NH:12][C:13]([CH3:14])=[O:15])[c:10]1[Cl:11]