HRID1542387

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

HCID2774597

3-Fluoro-4-methylbenzylamine

C8H10FN

HCID67251868

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CN2Cc3cc(F)cc(C(F)(F)F)c3C2=O)cc1F

HCID57949817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4902b4bf255f42ed99b611bbab9a91da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[c:5]([CH2:15][Br:16])[cH:6][c:7]([F:14])[cH:8][c:9]1[C:10]([F:11])([F:12])[F:13])=[O:17].[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH3:47][CH2:48][CH2:49][CH2:50][CH2:51][CH3:52].[F:18][c:19]1[cH:20][c:21]([CH2:22][NH2:23])[cH:24][cH:25][c:26]1[CH3:27].[K+:28].[K+:29].[O-:30][C:31]([O-:32])=[O:33]>>[C:3]1(=[O:17])[c:4]2[c:5]([cH:6][c:7]([F:14])[cH:8][c:9]2[C:10]([F:11])([F:12])[F:13])[CH2:15][N:23]1[CH2:22][c:21]1[cH:20][c:19]([F:18])[c:26]([CH3:27])[cH:25][cH:24]1