HRID184627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID98210

3-Pyrrolidinol

C4H9NO

结构：Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(Cl)nc32)cc1

HCID53486828

2,4-Dichloro-7-(4-methylbenzene-1-sulfonyl)-7H-pyrrolo[2,3-d]pyrimidine

C13H9Cl2N3O2S

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(N4CCC(O)C4)nc(Cl)nc32)cc1

HCID76698207

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-717edd369e5b4a73bd14fed160a31eab
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

[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:1][c:2]1[n:3][c:4]([Cl:21])[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2.[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[OH2:35].[OH:22][CH:23]1[CH2:24][NH:25][CH2:26][CH2:27]1>>[Cl:1][c:2]1[n:3][c:4]([N:25]2[CH2:24][CH:23]([OH:22])[CH2:27][CH2:26]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2