HRID120916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID8471

Triethylamine

C6H15N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID19027557

未命名化合物

HCID57436051

未命名化合物

PRODUCTS

生成物

结构：CSCCn1c(=O)n(C(=O)NC(C(=O)N(C)C)C(C)(C)C)c2cccc(C)c21

HCID178503806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8662919171e4657b3a72770c8f7cd13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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