HRID87311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：CC1(c2ccc3c(-c4ccc(OC(F)(F)F)cc4)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1

HCID67412140

未命名化合物

PRODUCTS

生成物

结构：CC1(c2ccc3c(-c4ccc(S(C)(=O)=O)cc4)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)COC(=O)N1

HCID67412373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcae3e73c1ab4fd99cfa49e4a4618de4
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:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([O:11][c:12]2[c:13](-[c:29]3[cH:30][cH:31][c:32]([O:35][C:36]([F:37])([F:38])[F:39])[cH:33][cH:34]3)[c:14]3[cH:15][cH:16][c:17]([C:22]4([CH3:28])[NH:23][C:24](=[O:27])[O:25][CH2:26]4)[cH:18][c:19]3[cH:20][cH:21]2)[CH2:9][CH2:10]1.[CH3:40][S:41](=[O:42])(=[O:43])[c:44]1[cH:45][cH:46][c:47]([B:48]([OH:49])[OH:50])[cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][CH:8]([O:11][c:12]2[c:13](-[c:29]3[cH:30][cH:31][c:32]([S:41]([CH3:40])(=[O:42])=[O:43])[cH:33][cH:34]3)[c:14]3[cH:15][cH:16][c:17]([C:22]4([CH3:28])[NH:23][C:24](=[O:27])[O:25][CH2:26]4)[cH:18][c:19]3[cH:20][cH:21]2)[CH2:9][CH2:10]1