HRID1240465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7673

Isothiocyanic acid, phenyl ester

C7H5NS

HCID8857

Ethyl acetate

C4H8O2

结构：CCOC(=O)C(NC(=O)OC(C)(C)C)C1C(CN=[N+]=[N-])C1C(=O)OCC

HCID23542212

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(NC(=O)OC(C)(C)C)C1C(CNC(=S)Nc2ccccc2)C1C(=O)OCC

HCID178472828

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8fb364e61db74d9c98b4bae89de98f18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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