HRID702003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID15649174

4-Methylpiperidin-4-ol

C6H13NO

HCID66742511

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(Cl)cc(Nc2ccc(C(=O)N3CCC(C)(O)CC3)cn2)c1=O

HCID66742352

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f62a52460fcb48e5a82c46b569bf4b27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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