HRID2127453

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

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：C=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(Br)cc2)C(=O)O1

HCID68723923

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(C3CC3)cc2)C(=O)O1

HCID68725209

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b270e3c4e4a94976bf9023d3ced2a1e6
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

[CH2:1]([CH:2]=[CH2:3])[C:4]1([c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1.[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[CH:27]1([B:30]([OH:31])[OH:32])[CH2:28][CH2:29]1.[CH:33]1([P:34]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[K+:57].[K+:58].[K+:59].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:80].[P:52]([O-:53])([O-:54])([O-:55])=[O:56].[Pd+2:66]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([CH:27]3[CH2:28][CH2:29]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1