HRID204870

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：CCNC(=O)c1noc(-c2cc(Cl)c(OCc3ccccc3)cc2OCc2ccccc2)c1Br

HCID24774042

5-[2,4-Bis(benzyloxy)-5-chlorophenyl]-4-bromo-N-ethyl-1,2-oxazole-3-carboxamide

C26H22BrClN2O4

PRODUCTS

生成物

结构：CCNC(=O)c1noc(-c2cc(Cl)c(OCc3ccccc3)cc2OCc2ccccc2)c1-c1ccc(OC)cc1

HCID24774440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-263fb960839f44678aaacce8b9b73100
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:46](=[O:47])([O-:48])[OH:49].[CH2:12]([CH3:13])[NH:14][C:15](=[O:16])[c:17]1[n:18][o:19][c:20](-[c:23]2[c:24]([O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:25][c:26]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:27]([Cl:29])[cH:28]2)[c:21]1[Br:22].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[Na+:50].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:97].[Pd:56]([Cl:57])[Cl:58].[c:59]1([P:60]([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)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([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)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:21]2[c:17]([C:15]([NH:14][CH2:12][CH3:13])=[O:16])[n:18][o:19][c:20]2-[c:23]2[c:24]([O:38][CH2:39][c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[cH:25][c:26]([O:30][CH2:31][c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:27]([Cl:29])[cH:28]2)[cH:7][cH:8]1