HRID936326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734346

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3

结构：CC(C)OC1CC(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1C(=O)NC1(C#N)CC1

HCID67128547

未命名化合物

结构：COC1CC(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1C(=O)NC1(C#N)CC1

HCID72340464

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C)c1-c1ccc(S(=O)(=O)C2CC(OC(C)C)C(C(=O)NC3(C#N)CC3)C2)c(C(F)(F)F)c1

HCID178434746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cc0c08b9827450696bfd8406f306599
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:11](#[N:12])[C:13]1([NH:16][C:17](=[O:18])[CH:19]2[CH:20]([O:38][CH:39]([CH3:40])[CH3:41])[CH2:21][CH:22]([S:24](=[O:25])(=[O:26])[c:27]3[c:28]([C:34]([F:35])([F:36])[F:37])[cH:29][c:30]([Br:33])[cH:31][cH:32]3)[CH2:23]2)[CH2:14][CH2:15]1.[C:42]([C:43]1([NH:44][C:45]([CH:46]2[CH2:47][CH:48]([S:49]([c:50]3[cH:51][cH:52][c:53]([Br:54])[cH:55][c:56]3[C:57]([F:58])([F:59])[F:60])(=[O:61])=[O:62])[CH2:63][CH:64]2[O:65][CH3:66])=[O:67])[CH2:68][CH2:69]1)#[N:70].[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:10])[c:6]1[B:7]([OH:8])[OH:9]>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:10])[c:6]1-[c:30]1[cH:29][c:28]([C:34]([F:35])([F:36])[F:37])[c:27]([S:24]([CH:22]2[CH2:21][CH:20]([O:38][CH:39]([CH3:40])[CH3:41])[CH:19]([C:17]([NH:16][C:13]3([C:11]#[N:12])[CH2:14][CH2:15]3)=[O:18])[CH2:23]2)(=[O:25])=[O:26])[cH:32][cH:31]1