HRID298324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID2761034

Pyrimidine-5-carbaldehyde

C5H4N2O

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNCC4)cc3F)ncc2Cl)n[nH]1

HCID44612616

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5cncnc5)CC4)cc3F)ncc2Cl)n[nH]1

HCID58254915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d0d5f31d3424853b292f6b0372bd2ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:38]([OH:39])(=[O:40])[CH3:41].[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([F:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1.[Cl:42][CH2:43][Cl:44].[n:30]1[cH:31][n:32][cH:33][c:34]([CH:36]=[O:37])[cH:35]1>>[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([F:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][N:19]([CH2:36][c:34]4[cH:33][n:32][cH:31][n:30][cH:35]4)[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1