HRID193552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1nc2c(n1-c1ccc(C(=O)O)cc1C(F)(F)F)CCCC2

HCID69315423

未命名化合物

HCID178463384

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2c(n1-c1ccc(C(=O)NC(C)c3nc4cc(Cl)ccc4[nH]3)cc1C(F)(F)F)CCCC2

HCID178432300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ab773f5c1ed47b89f3bfd047de22474
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

[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1-[c:7]1[c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:14][cH:15]1)[CH2:20][CH2:21][CH2:22][CH2:23]2.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH:24]([N:25]([CH:26]([CH3:27])[CH3:28])[CH2:29][CH3:30])([CH3:31])[CH3:32].[Cl:33][c:34]1[cH:35][c:36]2[c:37]([nH:38][c:39]([CH:41]([CH3:42])[NH2:43])[n:40]2)[cH:44][cH:45]1.[Cl:46]>>[CH3:1][c:2]1[n:3][c:4]2[c:5]([n:6]1-[c:7]1[c:8]([C:16]([F:17])([F:18])[F:19])[cH:9][c:10]([C:11](=[O:12])[NH:43][CH:41]([c:39]3[nH:38][c:37]4[c:36]([cH:35][c:34]([Cl:33])[cH:45][cH:44]4)[n:40]3)[CH3:42])[cH:14][cH:15]1)[CH2:20][CH2:21][CH2:22][CH2:23]2