HRID109927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID69273

Benzoic acid, 4-iodo-, methyl ester

C8H7IO2

HCID2734378

Pyridine-3-boronic acid

C5H6BNO2

PRODUCTS

生成物

HCID4133187

Methyl 4-pyridin-3-ylbenzoate

C13H11NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c216ea13e8104c638c29ca4ea92f6756
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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