HRID1142755

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

HCID92980

3-Piperidinecarboxamide

C6H12N2O

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(N4CCCC(C(N)=O)C4)nc(Cl)nc32)cc1

HCID57990431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-146c5116c698406fab23633079b283c8
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

[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[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.[NH2:22][C:23](=[O:24])[CH:25]1[CH2:26][CH2:27][CH2:28][NH:29][CH2:30]1.[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:38]>>[Cl:1][c:2]1[n:3][c:4]([N:29]2[CH2:28][CH2:27][CH2:26][CH:25]([C:23]([NH2:22])=[O:24])[CH2:30]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