HRID954448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(c2ccc(C(=O)NCC3CC3)cc2)OC1(C)C

HCID11483451

未命名化合物

HCID21914575

3-Bromo-N-cyclopropyl-5-fluoro-4-methylbenzamide

C11H11BrFNO

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：Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1

HCID44479928

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-732996eb2b394547bf7eaf1c30ca43ce
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]2[CH2:9][CH2:10]2)[cH:11][c:12]([F:15])[c:13]1[CH3:14].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[CH:16]1([CH2:19][NH:20][C:21]([c:22]2[cH:23][cH:24][c:25]([B:28]3[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]3)[cH:26][cH:27]2)=[O:37])[CH2:17][CH2:18]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([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)[cH:125][cH:126]1>>[c:2]1(-[c:25]2[cH:24][cH:23][c:22]([C:21]([NH:20][CH2:19][CH:16]3[CH2:17][CH2:18]3)=[O:37])[cH:27][cH:26]2)[cH:3][c:4]([C:5](=[O:6])[NH:7][CH:8]2[CH2:9][CH2:10]2)[cH:11][c:12]([F:15])[c:13]1[CH3:14]