HRID157264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID70622

2-Amino-5-bromopyridine

C5H5BrN2

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

HCID59759443

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)Sc1nc(CC(=O)Nc2ccc(Br)cn2)cs1

HCID59759235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a80243f374d24039ace1dd3dd142a180
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: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][C:17](=[O:18])[OH:19])[n:15]1)=[O:20].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][CH2:34][N:35]=[C:36]=[N:37][CH2:38][CH3:39].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[Cl:40][CH2:41][Cl:42].[NH2:21][c:22]1[n:23][cH:24][c:25]([Br:28])[cH:26][cH:27]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][C:17](=[O:19])[NH:21][c:22]2[n:23][cH:24][c:25]([Br:28])[cH:26][cH:27]2)[n:15]1)=[O:20]