HRID1562765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

结构：O=C(NC1CCc2cc(Br)ccc2C1)c1ccc(OCC2CCCO2)cc1

HCID67544436

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(NC1CCc2cc(-c3cccnc3)ccc2C1)c1ccc(OCC2CCCO2)cc1

HCID67544348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-437eefbd8448466d8ba55f4d3254d723
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([NH:12][C:13]([c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][CH:22]3[O:23][CH2:24][CH2:25][CH2:26]3)[cH:18][cH:19]1)=[O:27])[CH2:6][CH2:5]2.[C:44](=[O:45])([O-:46])[O-:47].[CH3:133][CH2:134][OH:135].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cs+:48].[Cs+:49].[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:35]1[cH:36][c:37]([B:41]([OH:42])[OH:43])[cH:38][cH:39][cH:40]1>>[c:2]1(-[c:37]2[cH:36][n:35][cH:40][cH:39][cH:38]2)[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([NH:12][C:13]([c:14]1[cH:15][cH:16][c:17]([O:20][CH2:21][CH:22]3[O:23][CH2:24][CH2:25][CH2:26]3)[cH:18][cH:19]1)=[O:27])[CH2:6][CH2:5]2