HRID1557789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID10426

Carbonochloridic acid, trichloromethyl ester

C2Cl4O2

结构：COC(=O)c1csc(NC(=O)C(NC(=O)C(N)c2ccc(NC(C)=O)cc2)C(C)c2ccccc2)n1

HCID178499006

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1csc(NC(=O)C(C(C)c2ccccc2)N2C(=O)NC(c3ccc(NC(C)=O)cc3)C2=O)n1

HCID178499004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2805446a068847399ce7bb9ea6ff18f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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