HRID1238505

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

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2737809

2-Aminocarbonylphenylboronic acid

C7H8BNO3

结构：COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3ccc(Cl)c(C(=O)OC)c3)cc12

HCID59275297

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3ccc(-c4ccccc4C(N)=O)c(C(=O)OC)c3)cc12

HCID59275687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-265fa9df6eb743eb904c0fe6edffa082
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([NH2:2])(=[O:3])[c:4]1[c:5]([B:10]([OH:11])[OH:12])[cH:6][cH:7][cH:8][cH:9]1.[CH:52]1([P:53]([CH:54]2[CH2:55][CH2:56][CH2:57][CH2:58][CH2:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2-[c:66]2[c:67]([O:68][CH3:69])[cH:70][cH:71][cH:72][c:73]2[O:74][CH3:75])[CH2:76][CH2:77][CH2:78][CH2:79][CH2:80]1.[Cl:13][c:14]1[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][c:21](-[c:24]2[cH:25][cH:26][c:27]3[c:28]([c:29]([C:39]([NH:40][CH3:41])=[O:42])[c:30](-[c:32]4[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]4)[o:31]3)[cH:43]2)[cH:22][cH:23]1.[K+:49].[K+:50].[K+:51].[O-:82][C:83]([CH3:84])=[O:85].[O-:86][C:87]([CH3:88])=[O:89].[O:91]1[CH2:92][CH2:93][O:94][CH2:95][CH2:96]1.[OH2:90].[P:44]([O-:45])([O-:46])([O-:47])=[O:48].[Pd+2:81]>>[C:1]([NH2:2])(=[O:3])[c:4]1[c:5](-[c:14]2[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][c:21](-[c:24]3[cH:25][cH:26][c:27]4[c:28]([c:29]([C:39]([NH:40][CH3:41])=[O:42])[c:30](-[c:32]5[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]5)[o:31]4)[cH:43]3)[cH:22][cH:23]2)[cH:6][cH:7][cH:8][cH:9]1