HRID947657

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

结构：Cc1cc2cc(B3OC(C)(C)C(C)(C)O3)cnc2[nH]1

HCID53398635

2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C14H19BN2O2

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：Cc1cc2cc(-c3nn(C(C)C)cc3-c3ccnc(NCC(C)O)n3)cnc2[nH]1

HCID178421873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b04fff17e09412cb7f6c177c9dbcd3b
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

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