HRID170305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID2734361

Indole-5-boronic acid

C8H8BNO2

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

HCID178510908

未命名化合物

PRODUCTS

生成物

结构：N=C(C=Cc1ccc(-c2ccc3[nH]ccc3c2)cc1)Nc1ccc(Cl)cc1

HCID178510910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52008a6fd383426091620c05de815f47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[NH:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1.[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[CH3:39][CH2:40][OH:41].[Na+:46].[O-:42][C:43]([OH:44])=[O:45].[OH2:38].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([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)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[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)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1.[nH:20]1[cH:21][cH:22][c:23]2[cH:24][c:25]([B:29]([OH:30])[OH:31])[cH:26][cH:27][c:28]12>>[c:2]1(-[c:25]2[cH:24][c:23]3[cH:22][cH:21][nH:20][c:28]3[cH:27][cH:26]2)[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[NH:11])[NH:12][c:13]2[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:6][cH:7]1