HRID315571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

结构：CC(=O)NCC1CN(c2ccc(-c3ccc(CN=[N+]=[N-])cc3)c(F)c2)C(=O)O1

HCID22274111

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCC1CN(c2ccc(-c3ccc(CN)cc3)c(F)c2)C(=O)O1

HCID22274193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d809b50e749749808fe16bcf668bf66c
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

[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([F:28])[cH:13][c:14]([N:17]3[C:18](=[O:27])[O:19][CH:20]([CH2:22][NH:23][C:24]([CH3:25])=[O:26])[CH2:21]3)[cH:15][cH:16]2)[cH:9][cH:10]1.[OH2:48].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[NH2:1][CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[c:12]([F:28])[cH:13][c:14]([N:17]3[C:18](=[O:27])[O:19][CH:20]([CH2:22][NH:23][C:24]([CH3:25])=[O:26])[CH2:21]3)[cH:15][cH:16]2)[cH:9][cH:10]1