HRID2136700

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：[N-]=[N+]=NCCOc1ccc(-n2ccc(OCc3ccc(F)cc3)cc2=O)cc1

HCID86614894

未命名化合物

PRODUCTS

生成物

结构：NCCOc1ccc(-n2ccc(OCc3ccc(F)cc3)cc2=O)cc1

HCID58964956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca599a8e4be44115a7e0a2d4297bdb69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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