HRID693679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID75886

2-Chloro-N,N-dimethylacetamide

C4H8ClNO

结构：CC(C)[Si](Sc1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1)(C(C)C)C(C)C

HCID22287265

未命名化合物

PRODUCTS

生成物

结构：CN(C)C(=O)CSc1ccc(NC(=O)C(C)(O)C(F)(F)F)c(Cl)c1

HCID22287418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5beedb817d4e4f7e98966ebf4b250d65
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

[CH2:60]1[O:61][CH2:62][CH2:63][CH2:64]1.[CH3:2][CH2:3][CH2:4][CH2:5][N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[Cl:19][c:20]1[c:21]([NH:37][C:38]([C:39]([C:40]([F:41])([F:42])[F:43])([CH3:44])[OH:45])=[O:46])[cH:22][cH:23][c:24]([S:26][Si:27]([CH:28]([CH3:29])[CH3:30])([CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36])[cH:25]1.[Cl:47][CH2:48][C:49](=[O:50])[N:51]([CH3:52])[CH3:53].[F-:1]>>[Cl:19][c:20]1[c:21]([NH:37][C:38]([C:39]([C:40]([F:41])([F:42])[F:43])([CH3:44])[OH:45])=[O:46])[cH:22][cH:23][c:24]([S:26][CH2:48][C:49](=[O:50])[N:51]([CH3:52])[CH3:53])[cH:25]1