HRID176373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13124118

tert-Butyl 2-bromobutanoate

C8H15BrO2

结构：O=C(CCc1ccc(O)c(Br)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1

HCID59180298

未命名化合物

PRODUCTS

生成物

结构：CCC(Oc1ccc(CCC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1Br)C(=O)OC(C)(C)C

HCID25059983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bb480b2dc7f43149fef474dac5d6345
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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