HRID668965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID57416512

N,3-Dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C13H21BN2O2

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

HCID178468245

未命名化合物

PRODUCTS

生成物

结构：CNc1ncc(-c2nn(C(C)C)cc2-c2ccnc(NCC(C)O)n2)cc1C

HCID178482361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ada064d2046e46acafc31eb17200fd47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH3:21][NH:22][c:23]1[n:24][cH:25][c:26]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:27][c:28]1[CH3:29].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][OH:54].[I:1][c:2]1[n:3][n:4]([CH:18]([CH3:19])[CH3:20])[cH:5][c:6]1-[c:7]1[n:8][c:9]([NH:13][CH2:14][CH:15]([CH3:16])[OH:17])[n:10][cH:11][cH:12]1.[Na+:43].[Na+:44].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1(-[c:26]2[cH:25][n:24][c:23]([NH:22][CH3:21])[c:28]([CH3:29])[cH:27]2)[n:3][n:4]([CH:18]([CH3:19])[CH3:20])[cH:5][c:6]1-[c:7]1[n:8][c:9]([NH:13][CH2:14][CH:15]([CH3:16])[OH:17])[n:10][cH:11][cH:12]1