HRID1114531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2734663

3-quinolineboronic acid

C9H8BNO2

结构：O=C1N(C(c2ccccc2)c2ccccc2)c2cccc(Br)c2C12COc1cc3c(cc12)OCCO3

HCID59352527

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(C(c2ccccc2)c2ccccc2)c2cccc(-c3cnc4ccccc4c3)c2C12COc1cc3c(cc12)OCCO3

HCID59352452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86849010391e40efbbfce6c0a91f1033
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[N:8]([CH:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[C:9](=[O:23])[C:10]21[CH2:11][O:12][c:13]2[cH:14][c:15]3[c:16]([cH:21][c:22]21)[O:17][CH2:18][CH2:19][O:20]3.[CH3:133][N:134]([CH3:135])[CH:136]=[O:137].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([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)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([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)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([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)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1.[n:37]1[cH:38][c:39]([B:47]([OH:48])[OH:49])[cH:40][c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]12>>[c:2]1(-[c:39]2[cH:38][n:37][c:46]3[c:41]([cH:40]2)[cH:42][cH:43][cH:44][cH:45]3)[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[N:8]([CH:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[C:9](=[O:23])[C:10]21[CH2:11][O:12][c:13]2[cH:14][c:15]3[c:16]([cH:21][c:22]21)[O:17][CH2:18][CH2:19][O:20]3