HRID688311

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

HCID8857

Ethyl acetate

C4H8O2

HCID58494086

未命名化合物

结构：CCOC(=O)CN1CCC(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2CC)CC1

HCID58494160

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：CCOC(=O)CN1CCC(Cc2cccc(-c3nsc(-c4ccc(OC(C)C)c(Cl)c4)n3)c2CC)CC1

HCID58494152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e13c6335683b4ad4a09c91c319893480
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

[Br:31][c:32]1[n:33][s:34][c:35](-[c:37]2[cH:38][c:39]([Cl:47])[c:40]([O:43][CH:44]([CH3:45])[CH3:46])[cH:41][cH:42]2)[n:36]1.[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH2:23][CH2:24]2)[cH:5][cH:6][cH:7][c:8]1[B:9]1[O:10][C:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[O:17]1.[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[K+:53].[K+:54].[K+:55].[OH2:61].[P:48]([O-:49])([O-:50])([O-:51])=[O:52].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([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)[P:112]([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)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([CH2:25][C:26](=[O:27])[O:28][CH2:29][CH3:30])[CH2:23][CH2:24]2)[cH:5][cH:6][cH:7][c:8]1-[c:32]1[n:33][s:34][c:35](-[c:37]2[cH:38][c:39]([Cl:47])[c:40]([O:43][CH:44]([CH3:45])[CH3:46])[cH:41][cH:42]2)[n:36]1