HRID90874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID127137

4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide

C8H2BrF7

HCID13140652

2-(Acetyloxy)-5-aminobenzoic acid

C9H9NO4

PRODUCTS

生成物

结构：CC(=O)Oc1ccc(NCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1C(=O)O

HCID9979827

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccc079e8a3b7418ea0d376f8efd71794
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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