HRID1115583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID12717442

Ethyl 4-(4-oxopiperidin-1-yl)benzoate

C14H17NO3

结构：FC(F)(F)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID20477566

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCC(=Cc3ccccc3C(F)(F)F)CC2)cc1

HCID67144747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e93cbdd2896d4ad4a1ef6ed3717a170d
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

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