HRID2133902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)c1nc(CCOC(N)=O)n(Cc2ccc([N+](=O)[O-])cc2)c1Sc1cc(Cl)cc(Cl)c1

HCID474069

1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((4-nitrophenyl)methyl)-, carbamate (ester)

C22H22Cl2N4O4S

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(CCOC(N)=O)n(Cc2ccc(N)cc2)c1Sc1cc(Cl)cc(Cl)c1

HCID474070

1H-Imidazole-2-ethanol, 1-((4-aminophenyl)methyl)-5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-, carbamate (ester)

C22H24Cl2N4O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2e111ac59d54f5ab23e5f3ef3858c72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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