HRID2344118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6380

Tetramethylammonium ion(1+)

C4H12N+

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

2 次

HCID552549

(Trifluoromethyl)trimethylsilane

C4H9F3Si

结构：COc1ccc(Cl)c(C(C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)c1

HCID66697202

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cl)c(C(C)C(O)(c2ccc3c(c2)N(C)C(=O)CO3)C(F)(F)F)c1

HCID66697174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-775a0c3940544e32b46f0f72fca99880
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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