HRID161247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID88012

5-Aminoindazole

C7H7N3

HCID160435

Methanediimine

CH2N2

结构：CC1=C(C(=O)O)C(c2ccc3ccccc3c2)CC(=O)N1

HCID16099865

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc3ccccc3c2)CC(=O)N1

HCID11269477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c635097ff7646d883f28ddbfc2ca78c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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