HRID2309982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID887

Methanol

CH4O

HCID70556

Spirodecanone

C13H17N3O

HCID21428853

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1[N+](=O)[O-]

HCID21428843

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44094de5a2984362a448e490c904cdbe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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