HRID98209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8058

Hexane

C6H14

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID2760343

4-Phenoxybenzylamine

C13H13NO

HCID11268261

methyl 2-(bromomethyl)-6-iodobenzoate

C9H8BrIO2

PRODUCTS

产物

HCID11561268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7f6be32115244d2eab3768bc65ac387a
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

[CH3:1][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].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[K+:29].[K+:30].[O-:31][C:32]([O-:33])=[O:34].[O:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][c:24]([CH2:25][NH2:26])[cH:27][cH:28]1>>[C:3]1(=[O:13])[c:4]2[c:5]([cH:6][cH:7][cH:8][c:9]2[I:10])[CH2:11][N:26]1[CH2:25][c:24]1[cH:23][cH:22][c:21]([O:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:28][cH:27]1