HRID119936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)C(=O)Nc1nc(Cl)c2c(I)c[nH]c2n1

HCID15484841

N-(4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide

C11H12ClIN4O

HCID21882943

2-(Chloromethyl)-4-methoxy-3,5-dimethyl-1-oxo-1lambda~5~-pyridine

C9H12ClNO2

PRODUCTS

生成物

结构：COc1c(C)c[n+]([O-])c(Cn2cc(I)c3c(Cl)nc(NC(=O)C(C)(C)C)nc32)c1C

HCID86608229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8475723bc5844d78f2cc48494878f8e
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

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