HRID153230

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：CC1(C)CCC2=C(O1)c1ccccc1C1(OCC(CN=[N+]=[N-])O1)C2=O

HCID59514390

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCC2=C(O1)c1ccccc1C1(OCC(CN)O1)C2=O

HCID59514383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4724dbdfb37744c292c64504604b88b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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