HRID210319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID520986

3-(Trifluoromethyl)styrene

C9H7F3

HCID2797131

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

C10H9ClN2O2

结构：O=C1NCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Cl)cc1

HCID68705011

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(CN3CC(c4cccc(C(F)(F)F)c4)N(c4ccc(Cl)cc4)C3=O)no2)cc1

HCID68703668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5691be38c8cc4f02a1ec9c4d95325b00
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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