HRID164929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID4029871

4-butylbenzylamine

C11H17N

HCID11268261

methyl 2-(bromomethyl)-6-iodobenzoate

C9H8BrIO2

PRODUCTS

生成物

HCID11582197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24265fb7ea5c4a6496b2b658876f444d
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

[CH2:14]([CH2:15][CH2:16][CH3:17])[c:18]1[cH:19][cH:20][c:21]([CH2:22][NH2:23])[cH:24][cH:25]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([CH2:11][Br:12])[cH:6][cH:7][cH:8][c:9]1[I:10])=[O:13].[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50].[K+:26].[K+:27].[O-:28][C:29]([O-:30])=[O:31]>>[C:3]1(=[O:13])[c:4]2[c:5]([cH:6][cH:7][cH:8][c:9]2[I:10])[CH2:11][N:23]1[CH2:22][c:21]1[cH:20][cH:19][c:18]([CH2:14][CH2:15][CH2:16][CH3:17])[cH:25][cH:24]1