HRID317728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：FC(F)(F)c1cc(-c2nc(CCl)no2)cc(C(F)(F)F)c1

HCID2780957

5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole

C11H5ClF6N2O

结构：CC(C)Cc1cc2c(C(F)(F)F)c(C#N)ccc2[nH]1

HCID67405196

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1noc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

HCID86620677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20e22c1138de4a63a0d0ce15a74acfb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][CH:2]([CH2:3][c:4]1[nH:5][c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1)[CH3:19].[F:20][C:21]([c:22]1[cH:23][c:24](-[c:32]2[n:33][c:34]([CH2:37][Cl:38])[n:35][o:36]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:39])[F:40]>>[CH3:1][CH:2]([CH2:3][c:4]1[n:5]([CH2:37][c:34]2[n:33][c:32](-[c:24]3[cH:23][c:22]([C:21]([F:20])([F:39])[F:40])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]3)[o:36][n:35]2)[c:6]2[cH:7][cH:8][c:9]([C:17]#[N:18])[c:10]([C:13]([F:14])([F:15])[F:16])[c:11]2[cH:12]1)[CH3:19]