HRID315802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID795

Imidazole

C3H4N2

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

反应SMILES：CC(C)(F)C(c1cc(F)cc(F)c1)C1CN(C(c2ccc(Cl)cc2)c2cccc(C#N)c2)C1

HCID57559920

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(F)C(c1cc(F)cc(-n2ccnc2)c1)C1CN(C(c2ccc(Cl)cc2)c2cccc(C#N)c2)C1

HCID72836101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8e5c6a2a8b124c79aa4c8c001b7c2c21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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