HRID184689

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

HCID11268261

methyl 2-(bromomethyl)-6-iodobenzoate

C9H8BrIO2

HCID57455235

4-(4-Fluorophenoxy)benzenepropanamine

C15H16FNO

PRODUCTS

生成物

结构：O=C1c2c(I)cccc2CN1CCCc1ccc(Oc2ccc(F)cc2)cc1

HCID57455232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae57dbdfc91749c0be1a8618f271903f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][CH2:52][CH2:53][CH2:54][CH2:55][CH3:56].[F:14][c:15]1[cH:16][cH:17][c:18]([O:19][c:20]2[cH:21][cH:22][c:23]([CH2:26][CH2:27][CH2:28][NH2:29])[cH:24][cH:25]2)[cH:30][cH:31]1.[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37]>>[C:3]1(=[O:13])[c:4]2[c:5]([cH:6][cH:7][cH:8][c:9]2[I:10])[CH2:11][N:29]1[CH2:28][CH2:27][CH2:26][c:23]1[cH:22][cH:21][c:20]([O:19][c:18]2[cH:17][cH:16][c:15]([F:14])[cH:31][cH:30]2)[cH:25][cH:24]1