HRID678862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：CCOC(=O)C(C)(Cc1ccc(OCCC2CN(Cc3ccc(C(F)(F)F)cc3)C(=O)N2)cc1)Oc1ccccc1

HCID68870009

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(Cc1ccc(OCCC2CN(Cc3ccc(C(F)(F)F)cc3)C(=O)N2CC)cc1)Oc1ccccc1

HCID10289984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-937c07efbfcd4a24aecbf7947886eab7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][CH:16]2[NH:17][C:18](=[O:32])[N:19]([CH2:21][c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[CH2:20]2)[cH:11][cH:12]1)([O:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH3:40])=[O:41].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[H-:42].[I:44][CH2:45][CH3:46].[Na+:43].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][CH:16]2[N:17]([CH2:45][CH3:46])[C:18](=[O:32])[N:19]([CH2:21][c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[CH2:20]2)[cH:11][cH:12]1)([O:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH3:40])=[O:41]