HRID2320501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID292103

3-methylmorpholine

C5H11NO

结构：Cn1c(Cl)nc(-c2ccnc(-c3ccccc3)n2)cc1=O

HCID57870036

未命名化合物

PRODUCTS

生成物

结构：CC1COCCN1c1nc(-c2ccnc(-c3ccccc3)n2)cc(=O)n1C

HCID178431587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb1d757e87b7440cbc09dc956d1801a1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:23][CH:24]1[CH2:25][O:26][CH2:27][CH2:28][NH:29]1.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH:30]([N:31]([CH:32]([CH3:33])[CH3:34])[CH2:35][CH3:36])([CH3:37])[CH3:38].[Cl:1][c:2]1[n:3]([CH3:21])[c:4](=[O:20])[cH:5][c:6](-[c:8]2[n:9][c:10](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[n:11][cH:12][cH:13]2)[n:7]1.[ClH:22].[OH2:39]>>[c:2]1([N:29]2[CH:24]([CH3:23])[CH2:25][O:26][CH2:27][CH2:28]2)[n:3]([CH3:21])[c:4](=[O:20])[cH:5][c:6](-[c:8]2[n:9][c:10](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[n:11][cH:12][cH:13]2)[n:7]1