HRID302261

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

HCID86615766

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCCCn1ccc2ncnc(Nc3ccc(Oc4cccc(C(F)(F)F)c4)c(Cl)c3)c21

HCID67521255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df9fbbe254e847c986cc9b5e27b8b69a
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:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][CH2:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[n:13][cH:14][n:15][c:16]([Cl:18])[c:17]12.[C:38](=[O:39])([O-:40])[OH:41].[CH:43]([OH:44])([CH3:45])[CH3:46].[Cl:19][c:20]1[cH:21][c:22]([NH2:23])[cH:24][cH:25][c:26]1[O:27][c:28]1[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]1.[Na+:42]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][CH2:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:23][c:22]3[cH:21][c:20]([Cl:19])[c:26]([O:27][c:28]4[cH:29][c:30]([C:34]([F:35])([F:36])[F:37])[cH:31][cH:32][cH:33]4)[cH:25][cH:24]3)[c:17]12