HRID2150966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID11265570

4-CHLORO-1-(2-CHLOROPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE

C11H6Cl2N4

HCID57438612

未命名化合物

PRODUCTS

生成物

结构：COCC(Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1

HCID57504246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-137fca6e4e6c4af8a55e5b13a514b03f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:26][c:27]1[c:28]2[c:29]([n:30][cH:31][n:32]1)[n:33](-[c:36]1[c:37]([Cl:42])[cH:38][cH:39][cH:40][cH:41]1)[n:34][cH:35]2.[Li+:1].[OH2:43].[OH:11][CH:12]([C:13](=[O:14])[NH:15][c:16]1[n:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]1)[CH2:23][O:24][CH3:25]>>[O:11]([CH:12]([C:13](=[O:14])[NH:15][c:16]1[n:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]1)[CH2:23][O:24][CH3:25])[c:27]1[c:28]2[c:29]([n:30][cH:31][n:32]1)[n:33](-[c:36]1[c:37]([Cl:42])[cH:38][cH:39][cH:40][cH:41]1)[n:34][cH:35]2