HRID2323729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID4716522

未命名化合物

HCID12577557

6-Chloropyridazine-3-carboxamide

C5H4ClN3O

PRODUCTS

生成物

结构：CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(C(N)=O)nn1

HCID18693221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f46b2f1b7664fb6bcf5551d707fdf14
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

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