HRID1228298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID61668

Boronic acid

H3BO2

结构：O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(Cc2cc(F)ccc2F)on1

HCID66831747

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=C(NCCc1c[nH]c2ccc(-c3ccccc3)cc12)c1cc(Cc2cc(F)ccc2F)on1

HCID66831997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f40a5a703c5d486ca658eaca7a64e528
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BH:1]([OH:2])[OH:3].[Br:10][c:11]1[cH:12][c:13]2[c:14]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[c:25]3[n:26][o:27][c:28]([CH2:30][c:31]4[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]4)[cH:29]3)[cH:15][nH:16][c:17]2[cH:18][cH:19]1.[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[OH2:51].[cH:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:4]1(-[c:11]2[cH:12][c:13]3[c:14]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[c:25]4[n:26][o:27][c:28]([CH2:30][c:31]5[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]5)[cH:29]4)[cH:15][nH:16][c:17]3[cH:18][cH:19]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1