HRID2138559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2782827

3,3-difluoropyrrolidine

C4H7F2N

结构：COc1c(Cl)c(C)c(C(C)=O)c(OCCBr)c1OCCC(C)c1ccc(F)cc1

HCID59583523

未命名化合物

PRODUCTS

生成物

结构：COc1c(Cl)c(C)c(C(C)=O)c(OCCN2CCC(F)(F)C2)c1OCCC(C)c1ccc(F)cc1

HCID59583481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-140958fbe12d4c33bda7d51462999428
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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