HRID1207664

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID60984

Methyl bromoacetate

C3H5BrO2

HCID166653

Hydride

H-

结构：Cc1ccc(CCC(=O)N2CC(C)N(Cc3ccc(F)cc3)CC2C)c(O)c1

HCID21973358

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1cc(C)ccc1CCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID77696361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f4e4243f5c244b7afa0666ad77c2d43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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