HRID932887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID83545

Methyl N-methylglycinate

C4H9NO2

HCID105034

Isocyanate

CNO-

结构：COCc1cc(-c2nc(-c3ccc(C(=O)Cl)c(F)c3)no2)ccc1-c1ccccc1C

HCID86645657

未命名化合物

PRODUCTS

生成物

结构：COCc1cc(-c2nc(-c3ccc(C(=O)N(C)CC(=O)OC)c(F)c3)no2)ccc1-c1ccccc1C

HCID59495705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a46065d27194feeb0186706b9766c3c
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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