HRID109886

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734346

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3

结构：CCOC1CC(S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1C(=O)NC1(C#N)CC1

HCID67128526

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：CCOC1CC(S(=O)(=O)c2ccc(-c3c(C)noc3C)cc2C(F)(F)F)CC1C(=O)NC1(C#N)CC1

HCID72340406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e49882ef2534c3bbd2e9b7cc45ed099
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:11](#[N:12])[C:13]1([NH:16][C:17](=[O:18])[CH:19]2[CH:20]([O:38][CH2:39][CH3:40])[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:41]([C:42]1([NH:43][C:44]([CH:45]2[CH2:46][CH:47]([S:48]([c:49]3[cH:50][cH:51][c:52]([Br:53])[cH:54][c:55]3[C:56]([F:57])([F:58])[F:59])(=[O:60])=[O:61])[CH2:62][CH:63]2[O:64][CH3:65])=[O:66])[CH2:67][CH2:68]1)#[N:69].[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][CH2:39][CH3:40])[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