HRID134874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID280

Carbon dioxide

CO2

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(Br)c(Cc3ccccc3C(F)(F)F)sc21

HCID11442902

未命名化合物

HCID178448189

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(CO)c(Cc3ccccc3C(F)(F)F)sc21

HCID10224311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae2ffb3fadc94131ad4dbed6b907347e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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