HRID2131994

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-

反应SMILES：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

HCID104967

Cesium(1+)

Cs+

HCID105144

Palladium(2+)

Pd+2

HCID11287226

3-bromo-2,6-difluorotoluene

C7H5BrF2

反应SMILES：COC(=O)c1n[c]([Sn]([CH3])([CH3])[CH3])cc(NC(C)=O)c1Cl

HCID22677308

未命名化合物

PRODUCTS

产物

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

HCID68597583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a080a08760424d23922dfb5a98e0da21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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