HRID1149482

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6115

Aniline

C6H7N

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(C(=O)O)cc2)cs1

HCID59759411

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ccc(C(=O)Nc3ccccc3)cc2)cs1

HCID59759048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5467405de2af4039942ce2462c0610cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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