HRID121884

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

HCID6344

Dichloromethane

CH2Cl2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2734349

3,5-Dimethylphenylboronic acid

C8H11BO2

HCID22125219

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)cc(-c2ccc3c(c2)CCC2N(C)C(=O)CCC32C)c1

HCID178424828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2aa24b3d3df14d55adc86b381f9daea6
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

[CH3:123][OH:124].[CH3:19][c:20]1[cH:21][c:22]([B:27]([OH:28])[OH:29])[cH:23][c:24]([CH3:26])[cH:25]1.[CH3:1][N:2]1[C:3](=[O:18])[CH2:4][CH2:5][C:6]2([CH3:17])[c:7]3[c:8]([cH:12][c:13]([Br:16])[cH:14][cH:15]3)[CH2:9][CH2:10][CH:11]12.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:43][CH2:44][Cl:45].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[Pd:46].[c:104]1([P:105]([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][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[CH3:1][N:2]1[C:3](=[O:18])[CH2:4][CH2:5][C:6]2([CH3:17])[c:7]3[c:8]([cH:12][c:13](-[c:22]4[cH:21][c:20]([CH3:19])[cH:25][c:24]([CH3:26])[cH:23]4)[cH:14][cH:15]3)[CH2:9][CH2:10][CH:11]12