HRID675503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID9005

Trimethoxymethane

C4H10O3

HCID53167

1-Methylpiperazine

C5H12N2

HCID2724942

未命名化合物

HCID22736413

4-(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-one

C12H11ClIN3O

PRODUCTS

生成物

结构：CN1CCN(C2CCC(n3cc(I)c4c(Cl)ncnc43)CC2)CC1

HCID21302900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f3cecd33cdc4fbda6fed6c888a651b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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