HRID693234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID599529

3-Bromo-5-hydroxypyridine

C5H4BrNO

结构：CC(C)(C)OC(=O)n1c(B(O)O)cc2ccc(Cl)cc21

HCID44119151

[1-(tert-Butoxycarbonyl)-6-chloro-1H-indol-2-yl]boronic acid

C13H15BClNO4

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：CC(C)(C)OC(=O)n1c(-c2cncc(O)c2)cc2ccc(Cl)cc21

HCID58215545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e934f801bdf04ac5878b74f9910a1f44
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

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