HRID2321461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11745

Ethyl 2-bromoisobutyrate

C6H11BrO2

结构：Cc1cc(O)cc(C)c1Cc1ccc(OCc2ccccc2)c(S(=O)(=O)c2ccc(F)cc2)c1

HCID23499617

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)Oc1cc(C)c(Cc2ccc(OCc3ccccc3)c(S(=O)(=O)c3ccc(F)cc3)c2)c(C)c1

HCID23499594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbc83f601d894667b4aaca859b2fb010
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:11][c:12]([CH2:13][c:14]2[c:15]([CH3:22])[cH:16][c:17]([OH:21])[cH:18][c:19]2[CH3:20])[cH:23][cH:24]1.[CH3:35][C:36]([C:37](=[O:38])[O:39][CH2:40][CH3:41])([Br:42])[CH3:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([S:25](=[O:26])(=[O:27])[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[cH:11][c:12]([CH2:13][c:14]2[c:15]([CH3:22])[cH:16][c:17]([O:21][C:36]([CH3:35])([C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH3:43])[cH:18][c:19]2[CH3:20])[cH:23][cH:24]1