HRID2310563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID13401973

未命名化合物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CCl)n(C)c2n1

HCID59605249

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC(N4CCOCC4)C3)n(C)c2n1

HCID59605877

4-(1-((2-(2-ethyl-1H-benzo[d]imidazol-1-yl)-9-methyl-6-morpholino-9H-purin-8-yl)methyl)azetidin-3-yl)morpholine

C27H35N9O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-960f0c5fa9cd4acca2110384dc564e3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:1][CH2:2][c:3]1[n:4]([CH3:29])[c:5]2[n:6][c:7](-[n:18]3[c:19]([CH2:27][CH3:28])[n:20][c:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[n:8][c:9]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:10]2[n:11]1.[K+:40].[K+:41].[NH:30]1[CH2:31][CH:32]([N:34]2[CH2:35][CH2:36][O:37][CH2:38][CH2:39]2)[CH2:33]1.[O-:42][C:43]([O-:44])=[O:45].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH2:2]([c:3]1[n:4]([CH3:29])[c:5]2[n:6][c:7](-[n:18]3[c:19]([CH2:27][CH3:28])[n:20][c:21]4[c:22]3[cH:23][cH:24][cH:25][cH:26]4)[n:8][c:9]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:10]2[n:11]1)[N:30]1[CH2:31][CH:32]([N:34]2[CH2:35][CH2:36][O:37][CH2:38][CH2:39]2)[CH2:33]1