HRID154893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID11561

Benzene, 1-bromo-3-iodo-

C6H4BrI

HCID19660

Carbonate

CO3-2

HCID58088961

未命名化合物

HCID178507034

未命名化合物

PRODUCTS

产物

HCID58089004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d58a87171f5f43e7806e760ba6b73166
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[Br:1][c:2]1[cH:3][c:4]([I:8])[cH:5][cH:6][cH:7]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH:10]1([Mg+:11])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[Cl-:9].[ClH:38].[K+:39].[K+:40].[NH2:17][c:18]1[c:19]([C:36]#[N:37])[n:20][cH:21][n:22]1-[c:23]1[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]2[CH2:30][CH2:31]2)[cH:32][cH:33][c:34]1[CH3:35].[O-:41][C:42]([O-:43])=[O:44]>>[Br:1][c:2]1[cH:3][c:4]([C:36]([c:19]2[c:18]([NH2:17])[n:22](-[c:23]3[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]4[CH2:30][CH2:31]4)[cH:32][cH:33][c:34]3[CH3:35])[cH:21][n:20]2)=[O:41])[cH:5][cH:6][cH:7]1