HRID2345726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID70111

3,4,5-Trichloropyridazine

C4HCl3N2

结构：COc1ccccc1S(=O)(=O)N(c1cc(C)cc(OCCN)c1)C(C)(C)P(=O)=O

HCID23206743

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1S(=O)(=O)N(c1cc(C)cc(OCCNc2cnnc(Cl)c2Cl)c1)C(C)(C)P(=O)=O

HCID23206746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49c11335a5a44f648bb29566d2e48e86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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