HRID1215089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID11563

Phenol, 3-bromo-

C6H5BrO

结构：CS(=O)(=O)c1nc2cc(-c3ccc(-c4ccccc4)cc3)c(F)cc2[nH]1

HCID67445536

未命名化合物

PRODUCTS

生成物

结构：Fc1cc2[nH]c(Oc3cccc(Br)c3)nc2cc1-c1ccc(-c2ccccc2)cc1

HCID67446383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-479736bb89cb4020ad88e4c72c287a9e
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

[Br:27][c:28]1[cH:29][c:30]([OH:34])[cH:31][cH:32][cH:33]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[c:1]1(-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][c:4](-[c:7]2[cH:8][c:9]3[c:10]([nH:11][c:12]([S:14]([CH3:15])(=[O:16])=[O:17])[n:13]3)[cH:18][c:19]2[F:20])[cH:5][cH:6]1.[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[c:1]1(-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:2][cH:3][c:4](-[c:7]2[cH:8][c:9]3[c:10]([nH:11][c:12]([O:34][c:30]4[cH:29][c:28]([Br:27])[cH:33][cH:32][cH:31]4)[n:13]3)[cH:18][c:19]2[F:20])[cH:5][cH:6]1