HRID2344689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

结构：COc1c(-c2ccc([Se]C)cc2)cnn(-c2ccc(F)cc2)c1=O

HCID21934159

未命名化合物

PRODUCTS

生成物

结构：C[Se]c1ccc(-c2cnn(-c3ccc(F)cc3)c(=O)c2-c2ccc(F)cc2)cc1

HCID10138955

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dca75005019d41ba977d3e77c61bd573
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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