HRID176588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID9943889

1-benzyl-N,4-dimethylpiperidin-3-amine

C14H22N2

结构：Cc1ccc(S(=O)(=O)n2ccc3c(Cl)ncnc32)cc1

HCID44228967

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

C13H10ClN3O2S

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)n2ccc3c(N(C)C4CN(Cc5ccccc5)CCC4C)ncnc32)cc1

HCID67010145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b266c320030e464b9b4a9059f838494c
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

[C:21](=[O:22])([O-:23])[O-:24].[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[N:34]1[CH2:35][CH:36]([NH:41][CH3:42])[CH:37]([CH3:40])[CH2:38][CH2:39]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH: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.[K+:25].[K+:26].[OH2:49]>>[c:2]1([N:41]([CH:36]2[CH2:35][N:34]([CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:39][CH2:38][CH:37]2[CH3:40])[CH3:42])[c:3]2[c:4]([n:5][cH: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