HRID286850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3438

Furfurylamine

C5H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

HCID280997

2-Fluoro-5-nitrobenzoic acid

C7H4FNO4

PRODUCTS

生成物

结构：O=C(NCc1ccco1)c1cc([N+](=O)[O-])ccc1F

HCID43377386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e02aca67b81b4f02b66ec15b534693db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:14]([c:15]1[cH:16][cH:17][cH:18][o:19]1)[NH2:20].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[ClH:55].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1.[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1.[P-:21]([F:22])([F:23])([F:24])([F:25])([F:26])[F:27].[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[NH:20][CH2:14][c:15]2[cH:16][cH:17][cH:18][o:19]2)[cH:7][c:8]([N+:11](=[O:12])[O-:13])[cH:9][cH:10]1