HRID101968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID8071

未命名化合物

HCID8182

Dodecane

C12H26

HCID12070

Benzoic acid, 3-bromo-, methyl ester

C8H7BrO2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

PRODUCTS

生成物

HCID22492538

Methyl 3-(4-methoxyanilino)benzoate

C15H15NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-396e6d5db4c043a6abee8d92ac60e095
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

[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]([NH2:28])[cH:26][cH:27]1.[CH3:29][O:30][CH2:31][CH2:32][O:33][CH3:34].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:9][O:10][C:11]([c:12]1[cH:13][c:14]([Br:18])[cH:15][cH:16][cH:17]1)=[O:19].[K+:6].[K+:7].[K+:8].[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[P:1]([O-:2])([O-:3])([O-:4])=[O:5].[Pd:47].[Pd:48]>>[CH3:9][O:10][C:11]([c:12]1[cH:13][c:14]([NH:28][c:25]2[cH:24][cH:23][c:22]([O:21][CH3:20])[cH:27][cH:26]2)[cH:15][cH:16][cH:17]1)=[O:19]