HRID166549

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID85570

Tosylate

C7H7O3S-

HCID4989215

Pyridinium

C5H6N+

结构：COc1ccc(C(c2ccc(OC)cc2)(c2ccc(OC)cc2)n2cc(-c3ccc(C(OC)C(=O)c4ccc(-c5cc(OC)c(Br)c(OC)c5)o4)cc3)cn2)cc1

HCID58432164

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2ccc(C(=O)C(OC)c3ccc(-c4cn[nH]c4)cc3)o2)cc(OC)c1Br

HCID58432102

2-(4-(1H-pyrazol-4-yl)phenyl)-1-(5-(4-bromo-3,5-dimethoxyphenyl)furan-2-yl)-2-methoxyethanone

C24H21BrN2O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a24a157b327d47e5bb1274f85455324c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([O:56][CH3:57])[cH:4][c:5](-[c:10]2[cH:11][cH:12][c:13]([C:15]([CH:16]([c:17]3[cH:18][cH:19][c:20](-[c:23]4[cH:24][n:25][n:26]([C:28]([c:29]5[cH:30][cH:31][c:32]([O:33][CH3:34])[cH:35][cH:36]5)([c:37]5[cH:38][cH:39][c:40]([O:41][CH3:42])[cH:43][cH:44]5)[c:45]5[cH:46][cH:47][c:48]([O:49][CH3:50])[cH:51][cH:52]5)[cH:27]4)[cH:21][cH:22]3)[O:53][CH3:54])=[O:55])[o:14]2)[cH:6][c:7]1[O:8][CH3:9].[Na+:79].[O-:75][C:76]([OH:77])=[O:78].[c:58]1([CH3:59])[cH:60][cH:61][c:62]([S:63]([O-:64])(=[O:65])=[O:66])[cH:67][cH:68]1.[nH+:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1>>[Br:1][c:2]1[c:3]([O:56][CH3:57])[cH:4][c:5](-[c:10]2[cH:11][cH:12][c:13]([C:15]([CH:16]([c:17]3[cH:18][cH:19][c:20](-[c:23]4[cH:24][nH:25][n:26][cH:27]4)[cH:21][cH:22]3)[O:53][CH3:54])=[O:55])[o:14]2)[cH:6][c:7]1[O:8][CH3:9]