HRID201403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8083

Morpholine

C4H9NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

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

HCID616602

3-Nitro-5-(trifluoromethyl)benzoic acid

C8H4F3NO4

PRODUCTS

生成物

结构：O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCOCC1

HCID21954989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9a58521afbf840a5b20e932fe1bb5e25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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