HRID170581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID122933

3,5-Bis(trifluoromethyl)benzyl alcohol

C9H6F6O

HCID166653

Hydride

H-

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(C(=O)OCc5ccc([N+](=O)[O-])cc5)CC4)cc3)oc12

HCID68742139

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(C(=O)OCc5cc(C(F)(F)F)cc(C(F)(F)F)c5)CC4)cc3)oc12

HCID25171239

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1be3fa220f704072baae08f90de5f8b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:19](#[N:20])[c:21]1[cH:22][c:23]([CH:59]([CH3:60])[CH3:61])[c:24]2[c:25]([n:26][c:27](-[c:29]3[cH:30][cH:31][c:32]([C:33](=[O:34])[NH:35][CH2:36][CH:37]4[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][CH2:46][c:47]5[cH:48][cH:49][c:50]([N+:51]([O-:52])=[O:53])[cH:54][cH:55]5)[CH2:41][CH2:42]4)[cH:56][cH:57]3)[o:28]2)[cH:58]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][OH:14])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:15])[F:16].[H-:17].[Na+:18].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:13][O:14][C:43]([N:40]2[CH2:39][CH2:38][CH:37]([CH2:36][NH:35][C:33]([c:32]3[cH:31][cH:30][c:29](-[c:27]4[n:26][c:25]5[c:24]([c:23]([CH:59]([CH3:60])[CH3:61])[cH:22][c:21]([C:19]#[N:20])[cH:58]5)[o:28]4)[cH:57][cH:56]3)=[O:34])[CH2:42][CH2:41]2)=[O:44])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:15])[F:16]