HRID1570714

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID414634

6-Chloro-9-isopropyl-9H-purine

C8H9ClN4

HCID5017652

{4-[(Oxan-2-yl)oxy]phenyl}boronic acid

C11H15BO4

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：CC(C)n1cnc2c(-c3ccc(OC4CCCCO4)cc3)ncnc21

HCID59447635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b95ffcf1e02041a4af54f3bc3451cb6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:11]([CH3:12])[CH3:13])[c:7]2[n:8][cH:9][n:10]1.[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[O:14]1[CH:15]([O:20][c:21]2[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]2)[CH2:16][CH2:17][CH2:18][CH2:19]1.[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([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]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([O:20][CH:15]3[O:14][CH2:19][CH2:18][CH2:17][CH2:16]3)[cH:26][cH:25]2)[c:3]2[n:4][cH:5][n:6]([CH:11]([CH3:12])[CH3:13])[c:7]2[n:8][cH:9][n:10]1