HRID1145587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID276

Carbamic acid, ion(1-)

CH2NO2-

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID101856

3,5-Bis(trifluoromethyl)benzoyl chloride

C9H3ClF6O

HCID596476

Methyl 2-amino-4-nitrobenzoate

C8H8N2O4

PRODUCTS

生成物

结构：COC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86597398

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74e96c223c7d47d789e626df8f52063f
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

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