HRID111181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

反应SMILES：CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCCl)cc21

HCID59426127

未命名化合物

PRODUCTS

产物

反应SMILES：CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCn3ccnc3)cc21

HCID49772291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-45e91330803a47f884b17a99211a2ce6
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

[CH3:43][C:44]#[N:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([C:28]#[N:29])[c:10](-[c:16]3[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[CH:25]4[CH2:26][CH2:27]4)[cH:20][cH:21]3)[n:11]([CH2:14][CH3:15])[c:12]2[cH:13]1.[I-:30].[K+:32].[K+:33].[Na+:31].[O-:34][C:35]([O-:36])=[O:37].[OH2:52].[nH:38]1[cH:39][n:40][cH:41][cH:42]1>>[CH2:2]([CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]2[c:9]([C:28]#[N:29])[c:10](-[c:16]3[cH:17][cH:18][c:19]([NH:22][C:23](=[O:24])[CH:25]4[CH2:26][CH2:27]4)[cH:20][cH:21]3)[n:11]([CH2:14][CH3:15])[c:12]2[cH:13]1)[n:38]1[cH:39][n:40][cH:41][cH:42]1