HRID184509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID81531

Diisopropylethylamine

C8H19N

HCID12797139

3-(2-Methyl-1H-imidazol-1-yl)aniline

C10H11N3

HCID59447000

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC1CC1)c1cc(C(=O)Nc2cccc(-n3ccnc3C)c2)ncn1

HCID59446914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6f23dfcbf0f4d4aa4fe3661a0d658bf
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

[CH3:32][c:33]1[n:34](-[c:38]2[cH:39][c:40]([NH2:41])[cH:42][cH:43][cH:44]2)[cH:35][cH:36][n:37]1.[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]>>[CH:1]1([CH2:4][N:5]([c:6]2[cH:7][c:8]([C:12](=[O:14])[NH:41][c:40]3[cH:39][c:38](-[n:34]4[c:33]([CH3:32])[n:37][cH:36][cH:35]4)[cH:44][cH:43][cH:42]3)[n:9][cH:10][n:11]2)[CH2:15][CH2:16][CH3:17])[CH2:2][CH2:3]1