HRID803892

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID45480186

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

C13H17BN2O2

HCID59593145

未命名化合物

PRODUCTS

生成物

结构：c1ccc(-c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3o2)cc1

HCID59592879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b60abfcb23be4067a2ba656445173b22
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:48]([OH:49])[CH3:50].[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[c:32]3[cH:33][n:34][nH:35][c:36]3[cH:37][cH:38][cH:39]2)[O:40]1.[Cl:1][c:2]1[n:3][c:4]([N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[o:10]2.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:47].[Pd:58]([Cl:59])[Cl:60].[c:51]1([CH3:52])[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:61]1([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)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([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)[cH:94][cH:95][cH:96][cH:97][cH:98]1>>[c:2]1(-[c:31]2[c:32]3[cH:33][n:34][nH:35][c:36]3[cH:37][cH:38][cH:39]2)[n:3][c:4]([N:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[o:10]2