HRID1125445

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID8082

Piperidine

C5H11N

HCID8150

Diethylene glycol dimethyl ether

C6H14O3

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)NC(=O)N1CC(OC(c2ccc(Br)cc2F)c2ccccc2C(F)(F)F)C1

HCID9935850

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)N1CC(OC(c2ccc(C(=O)N3CCCCC3)cc2F)c2ccccc2C(F)(F)F)C1

HCID11376074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0d5884e7d5a4f0db4e6e1c436e9e949
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:47]1[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]1.[CH3:32][O:33][CH2:34][CH2:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[F:1][C:2]([c:3]1[c:4]([CH:5]([c:6]2[c:7]([F:13])[cH:8][c:9]([Br:12])[cH:10][cH:11]2)[O:14][CH:15]2[CH2:16][N:17]([C:19](=[O:20])[NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:18]2)[cH:26][cH:27][cH:28][cH:29]1)([F:30])[F:31].[K+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46]>>[F:1][C:2]([c:3]1[c:4]([CH:5]([c:6]2[c:7]([F:13])[cH:8][c:9]([C:40](=[O:39])[N:50]3[CH2:49][CH2:48][CH2:47][CH2:52][CH2:51]3)[cH:10][cH:11]2)[O:14][CH:15]2[CH2:16][N:17]([C:19](=[O:20])[NH:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:18]2)[cH:26][cH:27][cH:28][cH:29]1)([F:30])[F:31]