HRID122220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID19660

Carbonate

CO3-2

HCID5107660

4-(Chloromethyl)benzyl alcohol

C8H9ClO

反应SMILES：COCCOc1nc(N)c2nc(OC)n(CCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1

HCID59288021

未命名化合物

PRODUCTS

产物

反应SMILES：COCCOc1nc(N)c2nc(OC)n(CCC3CCN(Cc4ccc(CO)cc4)CC3)c2n1

HCID59288029

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8ccddbb50345468481482551d56b40dc
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:6](=[O:3])[N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][n:16]2[c:17]3[n:18][c:19]([O:28][CH2:29][CH2:30][O:31][CH3:32])[n:20][c:21]([NH2:27])[c:22]3[n:23][c:24]2[O:25][CH3:26])[CH2:12][CH2:13]1)([CH3:4])([CH3:5])[CH3:7].[C:50](=[O:51])([O-:52])[O-:53].[Cl:40][CH2:41][c:42]1[cH:43][cH:44][c:45]([CH2:46][OH:47])[cH:48][cH:49]1.[K+:54].[K+:55].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39]>>[CH2:6]([N:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][n:16]2[c:17]3[n:18][c:19]([O:28][CH2:29][CH2:30][O:31][CH3:32])[n:20][c:21]([NH2:27])[c:22]3[n:23][c:24]2[O:25][CH3:26])[CH2:12][CH2:13]1)[c:42]1[cH:43][cH:44][c:45]([CH2:46][OH:47])[cH:48][cH:49]1