HRID676048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：CC(C)Oc1ccc(-c2noc(-c3ccc(CN=[N+]=[N-])cc3)n2)cc1Cl

HCID59556596

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(-c2noc(-c3ccc(CN)cc3)n2)cc1Cl

HCID53247660

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47c700d681a94d22898d6f0c2ad0edef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13](-[c:16]3[cH:17][c:18]([Cl:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]3)[n:14][o:15]2)[cH:9][cH:10]1.[OH2:51].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[NH2:1][CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13](-[c:16]3[cH:17][c:18]([Cl:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]3)[n:14][o:15]2)[cH:9][cH:10]1