HRID2136642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID13478509

5-(Chloromethyl)-3-(propan-2-yl)-1,2,4-oxadiazole

C6H9ClN2O

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNCC4)cc3F)ncc2Cl)n[nH]1

HCID44612616

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5nc(C(C)C)no5)CC4)cc3F)ncc2Cl)n[nH]1

HCID58255091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-581fc8ced6a342e9805c692bc80eed97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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