HRID2321629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6386

tert-Butyl alcohol

C4H10O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID2854373

N-[1-(4-bromophenyl)ethyl]acetamide

C10H12BrNO

HCID86689018

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(OC2CN(c3ccc(C(C)NC(C)=O)cc3)C2)c(F)c1

HCID89654580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0445e544ce5a4d948b1bec82cd9749c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH3:12])=[O:13])[cH:6][cH:7]1.[C:29](=[O:30])([O-:31])[O-:32].[CH2:14]([CH3:15])[O:16][c:17]1[cH:18][c:19]([F:28])[c:20]([O:21][CH:22]2[CH2:23][NH:24][CH2:25]2)[cH:26][cH:27]1.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][C:44]([OH:45])([CH3:46])[CH3:47].[CH3:57][OH:58].[Cs+:33].[Cs+:34].[O-:49][C:50]([CH3:51])=[O:52].[O-:53][C:54]([CH3:55])=[O:56].[OH2:35].[Pd+2:48]>>[c:2]1([N:24]2[CH2:23][CH:22]([O:21][c:20]3[c:19]([F:28])[cH:18][c:17]([O:16][CH2:14][CH3:15])[cH:27][cH:26]3)[CH2:25]2)[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([CH3:12])=[O:13])[cH:6][cH:7]1