HRID677179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID15281236

Methyl 6-bromo-5-hydroxypyridine-2-carboxylate

C7H6BrNO3

HCID23005378

[3-(Benzyloxy)-4-chlorophenyl]boronic acid

C13H12BClO3

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(O)c(-c2ccc(Cl)c(OCc3ccccc3)c2)n1

HCID66720969

Methyl 6-[4-chloro-3-(phenylmethoxy)phenyl]-5-hydroxy-2-pyridinecarboxylate

C20H16ClNO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc04f2c0d7704facad7dc5dfa8c14230
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

[Br:1][c:2]1[c:3]([OH:12])[cH:4][cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[n:7]1.[C:31](=[O:32])([O-:33])[O-:34].[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][c:21]1[cH:22][c:23]([B:28]([OH:29])[OH:30])[cH:24][cH:25][c:26]1[Cl:27].[ClH:37].[Cs+:35].[Cs+:36].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:23]2[cH:22][c:21]([O:20][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:26]([Cl:27])[cH:25][cH:24]2)[c:3]([OH:12])[cH:4][cH:5][c:6]([C:8](=[O:9])[O:10][CH3:11])[n:7]1