HRID825429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

结构：CN(C(=O)N(C)C1CNCC1c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1

HCID77251866

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)N(C)C1CN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1

HCID178485909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9deccefa260c4feaa23c0e2b03b06f0e
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:28]([O:29][c:30]1[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]1)(=[O:39])[Cl:40].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH:41]([N:42]([CH2:43][CH3:44])[CH:45]([CH3:46])[CH3:47])([CH3:48])[CH3:49].[Cl-:50].[Cl:2][c:3]1[cH:4][c:5]([N:10]([C:11](=[O:12])[N:13]([CH3:14])[CH:15]2[CH2:16][NH:17][CH2:18][CH:19]2[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH3:27])[cH:6][c:7]([Cl:9])[cH:8]1.[ClH:1].[NH4+:51]>>[Cl:2][c:3]1[cH:4][c:5]([N:10]([C:11](=[O:12])[N:13]([CH3:14])[CH:15]2[CH2:16][N:17]([C:28]([O:29][c:30]3[cH:31][cH:32][c:33]([N+:36](=[O:37])[O-:38])[cH:34][cH:35]3)=[O:39])[CH2:18][CH:19]2[c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH3:27])[cH:6][c:7]([Cl:9])[cH:8]1