HRID144378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID11557851

3-amino-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide

C11H9ClN4O

结构：Cc1ccc(C(O)=S)c(OC2CCC(NC(=O)OC(C)(C)C)CC2)c1

HCID178425918

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCC(NC(=O)OC(C)(C)C)CC2)c1

HCID86619997

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdbf78f066e54ef6ae0dff5972be3154
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH:15]1[CH2:16][CH2:17][CH:18]([O:21][c:22]2[c:23]([C:24](=[S:25])[OH:26])[cH:27][cH:28][c:29]([CH3:31])[cH:30]2)[CH2:19][CH2:20]1.[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:60][CH2:61][Cl:62].[NH2:43][c:44]1[c:45]([C:50](=[O:51])[NH:52][c:53]2[n:54][cH:55][c:56]([Cl:59])[cH:57][cH:58]2)[n:46][cH:47][cH:48][cH:49]1.[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH:15]1[CH2:16][CH2:17][CH:18]([O:21][c:22]2[c:23]([C:24](=[S:25])[NH:43][c:44]3[c:45]([C:50](=[O:51])[NH:52][c:53]4[n:54][cH:55][c:56]([Cl:59])[cH:57][cH:58]4)[n:46][cH:47][cH:48][cH:49]3)[cH:27][cH:28][c:29]([CH3:31])[cH:30]2)[CH2:19][CH2:20]1