HRID143016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID302154

3-(chloromethyl)-5-phenyl-1,2,4-oxadiazole

C9H7ClN2O

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C(C)CNC2=O)CC1

HCID68463355

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C(C)CN(Cc3noc(-c4ccccc4)n3)C2=O)CC1

HCID68464939

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e14010f7dcb43158aa91718203692ad
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

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