HRID144412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22121

Benzimidazole, 2-isopropyl-

C10H12N2

结构：Cn1c(CN2CCN(C(C)(C)C(N)=O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21

HCID58439189

4-[[2-Chloro-9-methyl-6-(4-morpholinyl)-9H-purin-8-yl]methyl]-α,α-dimethyl-1-piperazineacetamide

C19H29ClN8O2

PRODUCTS

生成物

结构：CC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCN(C(C)(C)C(N)=O)CC3)n(C)c2n1

HCID59605721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0c9659aa47a4f4ca74267fc4adc9a7c
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

[CH:31]([CH3:32])([CH3:33])[c:34]1[nH:35][c:36]2[c:37]([n:38]1)[cH:39][cH:40][cH:41][cH:42]2.[Cl:1][c:2]1[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([C:19]([C:20](=[O:21])[NH2:22])([CH3:23])[CH3:24])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1>>[c:2]1(-[n:35]2[c:34]([CH:31]([CH3:32])[CH3:33])[n:38][c:37]3[c:36]2[cH:42][cH:41][cH:40][cH:39]3)[n:3][c:4]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[c:5]2[n:6][c:7]([CH2:12][N:13]3[CH2:14][CH2:15][N:16]([C:19]([C:20](=[O:21])[NH2:22])([CH3:23])[CH3:24])[CH2:17][CH2:18]3)[n:8]([CH3:11])[c:9]2[n:10]1