HRID1545189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID58494086

未命名化合物

结构：CCc1c(B2OC(C)(C)C(C)(C)O2)cccc1C1CCNCC1

HCID58494122

未命名化合物

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：CCc1c(-c2nsc(-c3ccc(OC(C)C)c(Cl)c3)n2)cccc1C1CCNCC1

HCID58494034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a78570f08d84a02bfaa6adc5f8ee683
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[n:3][s:4][c:5](-[c:7]2[cH:8][c:9]([Cl:17])[c:10]([O:13][CH:14]([CH3:15])[CH3:16])[cH:11][cH:12]2)[n:6]1.[CH2:18]([CH3:19])[c:20]1[c:21]([CH:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:22][cH:23][cH:24][c:25]1[B:26]1[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[K+:46].[K+:47].[K+:48].[OH2:54].[P:41]([O-:42])([O-:43])([O-:44])=[O:45].[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:25]2[c:20]([CH2:18][CH3:19])[c:21]([CH:35]3[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]3)[cH:22][cH:23][cH:24]2)[n:3][s:4][c:5](-[c:7]2[cH:8][c:9]([Cl:17])[c:10]([O:13][CH:14]([CH3:15])[CH3:16])[cH:11][cH:12]2)[n:6]1