HRID663280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCN(Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)OCc1ccccc1

HCID66603618

(Ethyl)[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethylbenzyl]carbamic acid benzyl ester

C24H29BF3NO4

结构：COC(=O)Cc1cc(OS(=O)(=O)C(F)(F)F)cc(C(F)(F)F)c1

HCID86651106

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)cc(C(F)(F)F)c1)C(=O)OCc1ccccc1

HCID86651132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08f43912bd194e8381cd5b8c3c1c74fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH2:11][c:12]1[c:13]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)[CH2:31][CH3:32])=[O:33].[CH3:34][O:35][C:36]([CH2:37][c:38]1[cH:39][c:40]([O:48][S:49]([C:50]([F:51])([F:52])[F:53])(=[O:54])=[O:55])[cH:41][c:42]([C:44]([F:45])([F:46])[F:47])[cH:43]1)=[O:56]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([N:10]([CH2:11][c:12]1[c:13](-[c:40]2[cH:39][c:38]([CH2:37][C:36]([O:35][CH3:34])=[O:56])[cH:43][c:42]([C:44]([F:45])([F:46])[F:47])[cH:41]2)[cH:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]1)[CH2:31][CH3:32])=[O:33]