HRID1135088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(Br)cc12

HCID67004571

未命名化合物

结构：Cc1nn(CC(C)(C)O)c(C)c1B1OC(C)(C)C(C)(C)O1

HCID67004698

α,α,3,5-Tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanol

C15H27BN2O3

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：COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(-c3c(C)nn(CC(C)(C)O)c3C)cc12

HCID76167297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99deb4513f39405fb5a55a786f298574
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[CH:11]([CH3:12])[c:13]1[c:14]([Cl:22])[c:15]([F:21])[cH:16][cH:17][c:18]1[O:19][CH3:20].[CH3:23][c:24]1[n:25][n:26]([CH2:39][C:40]([CH3:41])([OH:42])[CH3:43])[c:27]([CH3:38])[c:28]1[B:29]1[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]1.[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:133].[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>>[c:2]1(-[c:28]2[c:24]([CH3:23])[n:25][n:26]([CH2:39][C:40]([CH3:41])([OH:42])[CH3:43])[c:27]2[CH3:38])[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[CH:11]([CH3:12])[c:13]1[c:14]([Cl:22])[c:15]([F:21])[cH:16][cH:17][c:18]1[O:19][CH3:20]