HRID94370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID59605401

未命名化合物

PRODUCTS

产物

HCID59605539

[2-(2-Ethylbenzoimidazol-1-yl)-9-methyl-6-morpholin-4-yl-9H-purin-8-yl]piperidin-4-ylmethanone

C25H30N8O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-fe5052a8bf224ac8945faf79135a0e09
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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