HRID174824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID147151

5-Isopropyl-1,3,4-thiadiazol-2-amine

C5H9N3S

结构：COc1ccc(-c2nc(COc3ccc(S(=O)(=O)Cl)cc3)co2)cc1

HCID57543183

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc(COc3ccc(S(=O)(=O)Nc4nnc(C(C)C)s4)cc3)co2)cc1

HCID16129045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1dc2cdff34f4b81b8061a9386f52a78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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