HRID297152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID33050

1,2-Dichloro-3-isocyanatobenzene

C7H3Cl2NO

HCID108871

Pentanenitrile, 4,4-dimethyl-3-oxo-

C7H11NO

HCID792992

ethyl 4-hydrazinylbenzoate

C9H12N2O2

结构：CCOC(=O)c1ccc(-n2nc(C(C)(C)C)cc2N)cc1

HCID12044795

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Cl)c2Cl)cc1

HCID58851257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-048807e902ec47088c50e06f6cce877f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:20][cH:21]2)[c:8]([NH2:10])[cH:9]1.[C:35]([CH2:36][C:37]#[N:38])(=[O:39])[C:40]([CH3:41])([CH3:42])[CH3:43].[Cl:44][c:45]1[c:46]([Cl:54])[c:47]([N:51]=[C:52]=[O:53])[cH:48][cH:49][cH:50]1.[NH:22]([c:23]1[cH:24][cH:25][c:26]([C:27]([O:28][CH2:29][CH3:30])=[O:31])[cH:32][cH:33]1)[NH2:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7](-[c:11]2[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:20][cH:21]2)[c:8]([NH:10][C:52]([NH:51][c:47]2[c:46]([Cl:54])[c:45]([Cl:44])[cH:50][cH:49][cH:48]2)=[O:53])[cH:9]1