HRID287210

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID19626984

3-Chloro-4-[3-(trifluoromethyl)phenoxy]benzenamine

C13H9ClF3NO

HCID56851233

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

HCID56851355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08ca0d179e4446f0aaf976c71a350adc
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

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