HRID2316436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

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

HCID11269872

2-Dicyclohexylphosphino-2′,6′-dimethoxybiphenyl

C26H35O2P

HCID23398394

Methyl (5-bromopyridin-3-yl)acetate

C8H8BrNO2

结构：CCC(CC)(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)c1ccc(O)c(C)c1

HCID57443523

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(-c2cncc(CC(=O)OC)c2)cc1)c1ccc(O)c(C)c1

HCID57443526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-651bd9e031074495a63befb2896c3759
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

[C:87]([O-:88])(=[O:89])[CH3:90].[C:92]([O-:93])(=[O:94])[CH3:95].[CH2:50]([CH3:51])[C:52]([CH2:53][CH3:54])([c:55]1[cH:56][cH:57][c:58]([B:61]2[O:62][C:63]([CH3:64])([CH3:65])[C:66]([CH3:67])([CH3:68])[O:69]2)[cH:59][cH:60]1)[c:70]1[cH:71][c:72]([CH3:77])[c:73]([OH:76])[cH:74][cH:75]1.[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9]([Br:11])[cH:10]1)=[O:12].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[c:28]([O:29][CH3:30])[cH:31][cH:32][cH:33][c:34]2[O:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[Cl-:78].[K+:47].[K+:48].[K+:49].[NH4+:79].[OH2:96].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:91]>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][n:7][cH:8][c:9](-[c:58]2[cH:57][cH:56][c:55]([C:52]([CH2:50][CH3:51])([CH2:53][CH3:54])[c:70]3[cH:71][c:72]([CH3:77])[c:73]([OH:76])[cH:74][cH:75]3)[cH:60][cH:59]2)[cH:10]1)=[O:12]