HRID667506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

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

HCID66954701

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1nc(-c2cc(OC)c(Cl)cc2F)cc(NC(C)=O)c1Cl

HCID68600593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fafbc9339577440cab3a2cbcd59fdbb4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[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].[CH3:65][C:66]#[N:67].[Cl:17][c:18]1[cH:19][c:20]([F:32])[c:21]([B:26]2[O:27][CH2:28][CH2:29][CH2:30][O:31]2)[cH:22][c:23]1[O:24][CH3:25].[Cs+:34].[F-:33].[OH2:77].[Pd+2:72].[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:43][CH2:44][CH2:45][CH2:46][P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7](-[c:21]2[c:20]([F:32])[cH:19][c:18]([Cl:17])[c:23]([O:24][CH3:25])[cH:22]2)[cH:8][c:9]([NH:12][C:13]([CH3:14])=[O:15])[c:10]1[Cl:11]