HRID1236617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7412

Benzoyl chloride

C7H5ClO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID76610679

未命名化合物

PRODUCTS

生成物

结构：CC1CN(c2nnc(Cl)c3ccccc23)C(C)CN1C(=O)c1ccccc1

HCID76610684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3543143f55f148f5a615e0eae5291710
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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