HRID952361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2773987

1-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H17BN2O2

结构：CC(C)(C)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(CC(C)(O)c2ccc(Br)cc2)n1

HCID59161994

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccc(C(C)(O)Cc3nc(CC(C)(C)C)cn3C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cn1

HCID68667663

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d02195e921e74df58687aa32adaabed5
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[n:11]([C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:12][c:13]([CH2:15][C:16]([CH3:17])([CH3:18])[CH3:19])[n:14]2)([CH3:39])[OH:40])[cH:6][cH:7]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][n:48]1[n:49][cH:50][c:51]([B:53]2[O:54][C:55]([CH3:56])([CH3:57])[C:58]([CH3:59])([CH3:60])[O:61]2)[cH:52]1.[CH3:62][OH:63].[K+:45].[K+:46].[Pd:147].[c:109]1([P:110]([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][cH:125][cH:126][cH:127]1.[c:128]1([P:129]([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143][cH:144][cH:145][cH:146]1.[c:64]1([CH3:65])[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([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)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([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)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:2]1(-[c:51]2[cH:50][n:49][n:48]([CH3:47])[cH:52]2)[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[n:11]([C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:12][c:13]([CH2:15][C:16]([CH3:17])([CH3:18])[CH3:19])[n:14]2)([CH3:39])[OH:40])[cH:6][cH:7]1