HRID1132099

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

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID8495

3-Nitrobenzoyl chloride

C7H4ClNO3

HCID8857

Ethyl acetate

C4H8O2

结构：Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1N

HCID1275346

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cccc([N+](=O)[O-])c1

HCID86616583

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d70b3e6541b9478ea7dae89ffca7fd37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:38](=[O:39])([O-:40])[OH:41].[CH3:1][c:2]1[c:3]([NH2:4])[c:5]([CH3:19])[cH:6][c:7]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[cH:8]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][c:25]([C:26](=[O:27])[Cl:28])[cH:29][cH:30][cH:31]1.[Na+:42].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:43].[cH:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[CH3:1][c:2]1[c:3]([NH:4][C:26]([c:25]2[cH:24][c:23]([N+:20](=[O:21])[O-:22])[cH:31][cH:30][cH:29]2)=[O:27])[c:5]([CH3:19])[cH:6][c:7]([C:9]([C:10]([F:11])([F:12])[F:13])([C:14]([F:15])([F:16])[F:17])[OH:18])[cH:8]1