HRID2344414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9550

Diazomethane

CH2N2

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：CC(C)(C)Oc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)O)cc1

HCID2802359

未命名化合物

HCID3770554

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Oc1ccc(CC(NC(=O)OCc2ccccc2)C(=O)C=[N+]=[N-])cc1

HCID178450151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c01da139cbe4b5bae402ad124f8107a
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

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