HRID95661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16028

Tetrabutylammonium

C16H36N+

HCID24386

Thionyl chloride

Cl2OS

HCID28179

Fluoride

F-

HCID552549

(Trifluoromethyl)trimethylsilane

C4H9F3Si

结构：CCCC1CCC(C2CCC(C3Cc4cc(C)cc(F)c4C3=O)CC2)CC1

HCID12020439

未命名化合物

PRODUCTS

生成物

结构：CCCC1CCC(C2CCC(C3=C(C(F)(F)F)c4c(F)cc(C)cc4C3)CC2)CC1

HCID12020442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-500a13f6f6df4774aeb2a7dc9b568264
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

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