HRID1124561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(S(=O)(=O)C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1

HCID59594186

1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[2-methyl-4-[(trifluoromethyl)sulfonyl]phenyl]-

C14H18BF3O4S

结构：COC(=O)c1ccc(C)c(-c2ccc3c(Cl)nncc3c2)c1

HCID77230175

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(-c2ccc3c(-c4ccc(S(=O)(=O)C(F)(F)F)cc4C)nncc3c2)c1

HCID66674278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22a75f29ce244a0b97c38db1520ea6cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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