HRID1542499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6568

2-Butanol

C4H10O

HCID8857

Ethyl acetate

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2783396

2-Fluoropyridine-4-boronic acid

C5H5BFNO2

HCID58365072

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Cc1cnc(-c2ccnc(F)c2)c(F)c1

HCID58447733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01781156bcde40e3b47203b979b6e09b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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