HRID2333726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID14039

Monoacetyl hydrazine

C2H6N2O

结构：CC(c1cc2cccc(Cl)c2nc1C(=O)O)N1C(=O)c2ccccc2C1=O

HCID68942964

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NNC(=O)c1nc2c(Cl)cccc2cc1C(C)N1C(=O)c2ccccc2C1=O

HCID68942627

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20cca387f15e4742b5f81a783a1a9da6
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

[C:28](=[O:29])([OH:30])[O-:31].[C:33]([CH3:34])(=[O:35])[NH:36][NH2:37].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:15]([CH3:16])[N:17]3[C:18](=[O:27])[c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[C:25]3=[O:26])[c:9]([C:12](=[O:13])[OH:14])[n:10][c:11]12.[Na+:32].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:49]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:15]([CH3:16])[N:17]3[C:18](=[O:27])[c:19]4[cH:20][cH:21][cH:22][cH:23][c:24]4[C:25]3=[O:26])[c:9]([C:12](=[O:13])[NH:37][NH:36][C:33]([CH3:34])=[O:35])[n:10][c:11]12