HRID1555174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID23005782

1-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine

C6H11N3

结构：COc1cc2c(Cl)c(C(N)=O)cnc2cc1-c1c(C)noc1C

HCID57465581

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(NC(C)c3cnn(C)c3)c(C(N)=O)cnc2cc1-c1c(C)noc1C

HCID57465592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb8b31c6636148d79c23f882cf88441f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:24][n:25]1[n:26][cH:27][c:28]([CH:30]([CH3:31])[NH2:32])[cH:29]1.[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[c:3]([C:21](=[O:22])[NH2:23])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:14]3[c:15]([CH3:20])[n:16][o:17][c:18]3[CH3:19])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[OH2:49]>>[c:2]1([NH:32][CH:30]([c:28]2[cH:27][n:26][n:25]([CH3:24])[cH:29]2)[CH3:31])[c:3]([C:21](=[O:22])[NH2:23])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:14]3[c:15]([CH3:20])[n:16][o:17][c:18]3[CH3:19])[c:9]([O:12][CH3:13])[cH:10][c:11]12