HRID2344681

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID55267357

未命名化合物

HCID58447663

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CC(=O)Nc2ccc(-c3cccnn3)cn2)cnc1Cl

HCID86657954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8d4c1cf75794e92b10fd64f76100c88
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

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