HRID1129093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID572875

(3,5-Dimethyl-pyrazol-1-yl)-acetic acid

C7H10N2O2

HCID66823471

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)n(CC(=O)N2CCc3cc(-c4cn(C)c5ncnc(N)c45)ccc32)n1

HCID53468661

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ed02c19eb9a439bb7714deb2a4f30f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:43]([O:44][C:45](=[O:46])[CH3:47])[CH3:48].[CH3:23][c:24]1[n:25][n:26]([CH2:30][C:31](=[O:32])[OH:33])[c:27]([CH3:29])[cH:28]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH3:54][C:55]#[N:56].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:1].[ClH:2].[NH:3]1[CH2:4][CH2:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][n:14]([CH3:22])[c:15]4[n:16][cH:17][n:18][c:19]([NH2:21])[c:20]34)[cH:9][cH:10][c:11]21>>[N:3]1([C:31]([CH2:30][n:26]2[n:25][c:24]([CH3:23])[cH:28][c:27]2[CH3:29])=[O:32])[CH2:4][CH2:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][n:14]([CH3:22])[c:15]4[n:16][cH:17][n:18][c:19]([NH2:21])[c:20]34)[cH:9][cH:10][c:11]21