HRID2314046

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

HCID3776

Isopropanol

C3H8O

HCID16227983

1-(2-Methoxypyridin-4-yl)methanamine

C7H10N2O

反应SMILES：CC(C)(C)c1ccc(NC(=O)c2cc(Cl)nnc2Cl)cc1

HCID85890745

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(CNc2nnc(Cl)cc2C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1

HCID86590383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bcd1670d40144c389f2126cbe29cb34a
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[c:14]2[c:15]([Cl:21])[n:16][n:17][c:18]([Cl:20])[cH:19]2)[cH:9][cH:10]1.[C:32](=[O:33])([OH:34])[O-:35].[CH3:22][O:23][c:24]1[n:25][cH:26][cH:27][c:28]([CH2:30][NH2:31])[cH:29]1.[CH:37]([OH:38])([CH3:39])[CH3:40].[Na+:36].[OH2:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[c:14]2[c:15]([NH:31][CH2:30][c:28]3[cH:27][cH:26][n:25][c:24]([O:23][CH3:22])[cH:29]3)[n:16][n:17][c:18]([Cl:20])[cH:19]2)[cH:9][cH:10]1