HRID2339368

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID69132

Benzoic acid, 2-iodo-, methyl ester

C8H7IO2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID16481072

1-(3-Methyl-1,2-oxazol-5-yl)methanamine

C5H8N2O

PRODUCTS

生成物

HCID57440405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0a7ecbd6a1047ea879300b8ca4e547c
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

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