HRID156060

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID840433

1-methyl-1H-indazol-6-amine

C8H9N3

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(Nc4ccc5cnn(C)c5c4)nc(Cl)nc32)cc1

HCID57585781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75c0ccc56a60491886e42e452d492d6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:22][n:23]1[n:24][cH:25][c:26]2[cH:27][cH:28][c:29]([NH2:32])[cH:30][c:31]12.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[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:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54]>>[Cl:1][c:2]1[n:3][c:4]([NH:32][c:29]2[cH:28][cH:27][c:26]3[cH:25][n:24][n:23]([CH3:22])[c:31]3[cH: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