HRID1563149

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID139381

3-Chlorophenethylamine

C8H10ClN

反应SMILES：O=C(O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

HCID43349292

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NCCc1cccc(Cl)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1

HCID25064924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3ef2b3aded2c4f4d99641898cac8d0b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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