HRID163250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2773395

2,3-Dimethylphenylboronic acid

C8H11BO2

HCID22125219

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-c2ccc3c(c2)CCC2N(C)C(=O)CCC32C)c1C

HCID178424446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d99388f86b1424393156873d327d571
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:19][c:20]1[c:21]([B:27]([OH:28])[OH:29])[cH:22][cH:23][cH:24][c:25]1[CH3:26].[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.[CH:41]([Cl:42])([Cl:43])[Cl:44].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[Pd:45].[c:103]1([P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118][cH:119][cH:120][cH:121]1.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[cH:98][cH:99][cH:100][cH:101][cH:102]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:21]4[c:20]([CH3:19])[c:25]([CH3:26])[cH:24][cH:23][cH:22]4)[cH:14][cH:15]3)[CH2:9][CH2:10][CH:11]12