HRID1152120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2773857

4-Chloro-3-(trifluoromethyl)benzoic acid

C8H4ClF3O2

结构：Nc1ccc(Oc2ccnc3c([N+](=O)[O-])cccc23)cc1

HCID53330293

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Oc2ccnc3c([N+](=O)[O-])cccc23)cc1)c1ccc(Cl)c(C(F)(F)F)c1

HCID59509413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0096eae8a8c4f388ffcbe07af264d53
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

[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl:32][c:33]1[c:34]([C:42]([F:43])([F:44])[F:45])[cH:35][c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[c:9]([O:14][c:15]3[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]3)[cH:10][cH:11][n:12][c:13]12.[OH:22][n:23]1[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][n:31]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][cH:7][c:8]2[c:9]([O:14][c:15]3[cH:16][cH:17][c:18]([NH:21][C:37]([c:36]4[cH:35][c:34]([C:42]([F:43])([F:44])[F:45])[c:33]([Cl:32])[cH:41][cH:40]4)=[O:38])[cH:19][cH:20]3)[cH:10][cH:11][n:12][c:13]12