HRID2346229

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

HCID2795193

5-Pyrimidinylboronic acid

C4H5BN2O2

结构：O=C1N(Cc2ccc(C(F)(F)F)o2)c2cccc(Br)c2C12COc1cc3c(cc12)CCO3

HCID59263450

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：O=C1N(Cc2ccc(C(F)(F)F)o2)c2cccc(-c3cncnc3)c2C12COc1cc3c(cc12)CCO3

HCID59263472

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1041d26bae4c4268ac8ba255b6b098bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[N:8]([CH2:23][c:24]1[o:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]1)[C:9](=[O:22])[C:10]21[c:11]2[c:12]([cH:15][c:16]3[c:20]([cH:21]2)[CH2:19][CH2:18][O:17]3)[O:13][CH2:14]1.[CH3:125][O:126][CH2:127][CH2:128][O:129][CH3:130].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[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.[n:33]1[cH:34][n:35][cH:36][c:37]([B:39]([OH:40])[OH:41])[cH:38]1>>[c:2]1(-[c:37]2[cH:36][n:35][cH:34][n:33][cH:38]2)[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[N:8]([CH2:23][c:24]1[o:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][cH:28]1)[C:9](=[O:22])[C:10]21[c:11]2[c:12]([cH:15][c:16]3[c:20]([cH:21]2)[CH2:19][CH2:18][O:17]3)[O:13][CH2:14]1