HRID300136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2795190

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran

C14H17BO3

HCID24905337

3-Iodo-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C8H10IN5

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)n1nc(-c2ccc3occc3c2)c2c(N)ncnc21

HCID24905195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b556085377874cd8a39d2acb224578a3
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:33](=[O:34])([O-:35])[O-:36].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][o:16]3)[cH:17]2)[O:18]1.[CH3:39][CH2:40][OH:41].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[I:19][c:20]1[n:21][n:22]([CH:30]([CH3:31])[CH3:32])[c:23]2[n:24][cH:25][n:26][c:27]([NH2:29])[c:28]12.[Na+:37].[Na+:38].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[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)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:9]1(-[c:20]2[n:21][n:22]([CH:30]([CH3:31])[CH3:32])[c:23]3[n:24][cH:25][n:26][c:27]([NH2:29])[c:28]23)[cH:10][cH:11][c:12]2[c:13]([cH:14][cH:15][o:16]2)[cH:17]1