HRID291480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID11499811

Methyl 6-bromo-1H-indole-3-carboxylate

C10H8BrNO2

HCID57443272

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

C13H19BO3

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

PRODUCTS

生成物

结构：COC(=O)c1c[nH]c2cc(-c3ccc(O)cc3C)ccc12

HCID57443273

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20bd7faaebef4551869d5f96125a7df7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH3:117][CH2:118][OH:119].[CH3:18][O:19][C:20](=[O:21])[c:22]1[cH:23][nH:24][c:25]2[cH:26][c:27]([Br:31])[cH:28][cH:29][c:30]12.[CH3:1][c:2]1[cH:3][c:4]([OH:17])[cH:5][cH:6][c:7]1[B:8]1[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]1.[ClH:38].[K+:36].[K+:37].[O:120]=[CH:121][N:122]([CH3:123])[CH3:124].[OH2:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[CH3:1][c:2]1[cH:3][c:4]([OH:17])[cH:5][cH:6][c:7]1-[c:27]1[cH:26][c:25]2[nH:24][cH:23][c:22]([C:20]([O:19][CH3:18])=[O:21])[c:30]2[cH:29][cH:28]1