HRID801550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID88246

Isoxazole, 4-(chloromethyl)-3,5-dimethyl-

C6H8ClNO

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(Cc5c(C)noc5C)CC4)cc3F)ncc2Cl)n[nH]1

HCID44611359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac6ef9b3d2ef415bbea17583305255bf
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[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:37][CH2:38][c:39]1[c:40]([CH3:45])[n:41][o:42][c:43]1[CH3:44].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[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]([CH2:38][c:39]4[c:40]([CH3:45])[n:41][o:42][c:43]4[CH3:44])[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1