HRID1114820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID996

Phenol

C6H6O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

结构：O=[N+]([O-])c1ccc(C(O)C(CO)N2CCC(Cc3ccccc3)CC2)cc1

HCID22449929

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(C(O)C(COc2ccccc2)N2CCC(Cc3ccccc3)CC2)cc1

HCID70177034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a93c908ec9c5420b9887ed9546728bd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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