HRID93059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

结构：CC(C)(C)[Si](C)(C)OC1CN(c2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)C1

HCID86622857

未命名化合物

PRODUCTS

生成物

结构：O=C(N1CCc2ccc(Cl)c(N3CC(O)C3)c2CC1)C(F)(F)F

HCID59799078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b58d4e2919e400e9f0f7adeb3007fff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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