HRID298026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(c2ccc3ccc(-c4ccccc4)nc3c2)OC1(C)C

HCID53629011

2-Phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C21H22BNO2

HCID57681070

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC1CC(n2cc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)ncnc32)C1

HCID11496082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79b502b71df34fb88cd4d0cac2fecc7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][N:2]([CH3:3])[CH2:4][CH:5]1[CH2:6][CH:7]([n:9]2[cH:10][c:11]([I:19])[c:12]3[c:13]2[n:14][cH:15][n:16][c:17]3[NH2:18])[CH2:8]1.[Na+:49].[Na+:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[c:20]1(-[c:26]2[n:27][c:28]3[cH:29][c:30]([B:36]4[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]4)[cH:31][cH:32][c:33]3[cH:34][cH:35]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1.[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[CH3:1][N:2]([CH3:3])[CH2:4][CH:5]1[CH2:6][CH:7]([n:9]2[cH:10][c:11](-[c:30]3[cH:29][c:28]4[n:27][c:26](-[c:20]5[cH:21][cH:22][cH:23][cH:24][cH:25]5)[cH:35][cH:34][c:33]4[cH:32][cH:31]3)[c:12]3[c:13]2[n:14][cH:15][n:16][c:17]3[NH2:18])[CH2:8]1