HRID2339573

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

HCID23005361

(3-Fluoro-4-hydroxyphenyl)boronic acid

C6H6BFO3

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(-c2ccc(O)c(F)c2)c2c(N)ncnc21

HCID135947972

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-137cd51bb4f84027975b0eabd38dde68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:26](=[O:27])([O-:28])[O-:29].[CH3:32][CH2:33][OH:34].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[F:1][c:2]1[cH:3][c:4]([B:9]([OH:10])[OH:11])[cH:5][cH:6][c:7]1[OH:8].[I:12][c:13]1[n:14][n:15]([CH:23]([CH3:24])[CH3:25])[c:16]2[n:17][cH:18][n:19][c:20]([NH2:22])[c:21]12.[Na+:30].[Na+:31].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([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)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[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)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[F:1][c:2]1[cH:3][c:4](-[c:13]2[n:14][n:15]([CH:23]([CH3:24])[CH3:25])[c:16]3[n:17][cH:18][n:19][c:20]([NH2:22])[c:21]23)[cH:5][cH:6][c:7]1[OH:8]