HRID315719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID7964

Chlorobenzene

C6H5Cl

HCID74561

Pyrazol-3-ylamine

C3H5N3

HCID81531

Diisopropylethylamine

C8H19N

HCID94429

Triphosgene

C3Cl6O3

HCID11739027

3-Chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]aniline

C17H15ClN2O3

PRODUCTS

产物

HCID22637138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-eaa19c75d8874971a004a08ef5faefdd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][n:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]12.[Cl:33][C:34]([Cl:35])([O:36][C:37]([O:38][C:39]([Cl:40])([Cl:41])[Cl:42])=[O:43])[Cl:44].[Cl:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Na+:51].[OH:52][C:53](=[O:54])[O-:55].[nH:45]1[n:46][cH:47][cH:48][c:49]1[NH2:50]>>[Cl:1][c:2]1[cH:3][c:4]([NH:5][C:37](=[O:43])[NH:50][c:49]2[nH:45][n:46][cH:47][cH:48]2)[cH:6][cH:7][c:8]1[O:9][c:10]1[cH:11][cH:12][n:13][c:14]2[cH:15][c:16]([O:22][CH3:23])[c:17]([O:20][CH3:21])[cH:18][c:19]12