HRID2350575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID81531

Diisopropylethylamine

C8H19N

HCID821219

4-(1H-1,2,4-triazol-1-ylmethyl)aniline

C9H10N4

HCID59447000

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)ncn1

HCID59446897

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0109a9750a342cead07c84fdf7a18cb
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

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