HRID1206652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7964

Chlorobenzene

C6H5Cl

HCID14917

Hydrogen fluoride

HCID5462222

Potassium

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCC3CO3)CC2)c2ncnn12

HCID86644043

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCC(O)CF)CC2)c2ncnn12

HCID67008539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-639c2237ca8848c6933e7c393112d5e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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