HRID821748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID32285

3,4,5-Trimethoxyaniline

C9H13NO3

HCID22326846

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1OC

HCID10179293

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-84b63b0e3ea846ac9160b07cf62723ee
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

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