HRID690687

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID105144

Palladium(2+)

Pd+2

HCID5463800

6-Hydroxy-1-naphthoic acid

C11H8O3

HCID11481892

未命名化合物

结构：CCCc1cc(CCC)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(CCC)c1

HCID67346612

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncc(F)c(Oc3ccc4c(C(=O)O)cccc4c3)c2cc1OC

HCID24822773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d96f0899f38b4179a053d12a5fe8d107
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:31]([P:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1-[c:43]1[c:44]([CH2:45][CH2:46][CH3:47])[cH:48][c:49]([CH2:50][CH2:51][CH3:52])[cH:53][c:54]1[CH2:55][CH2:56][CH3:57])([CH3:58])([CH3:59])[CH3:60].[C:69]([O-:70])(=[O:71])[CH3:72].[C:74]([O-:75])(=[O:76])[CH3:77].[Cl:1][c:2]1[c:3]([F:16])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[K+:66].[K+:67].[K+:68].[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[OH:17][c:18]1[cH:19][c:20]2[cH:21][cH:22][cH:23][c:24]([C:28](=[O:29])[OH:30])[c:25]2[cH:26][cH:27]1.[P:61]([O-:62])([O-:63])([O-:64])=[O:65].[Pd+2:73]>>[c:2]1([O:17][c:18]2[cH:19][c:20]3[cH:21][cH:22][cH:23][c:24]([C:28](=[O:29])[OH:30])[c:25]3[cH:26][cH:27]2)[c:3]([F:16])[cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12