HRID196087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID2759136

4-(4-fluorophenyl)piperidine

C11H14FN

结构：O=CC1CN(C(=O)c2cccc3ccccc23)CC1c1ccsc1

HCID20694383

未命名化合物

HCID178477777

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc2ccccc12)N1CC(CCN2CCC(c3ccc(F)cc3)CC2)C(c2ccsc2)C1

HCID70213257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76d561dcdf8b4bafa4859cc275f105ae
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

[Br-:39].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:40][Mg+:41].[ClH:38].[F:25][c:26]1[cH:27][cH:28][c:29]([CH:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:30][cH:31]1.[OH2:53].[c:1]1([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([CH:23]=[O:24])[CH:16]([c:18]3[cH:19][s:20][cH:21][cH:22]3)[CH2:17]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[cH:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[c:1]1([C:11](=[O:12])[N:13]2[CH2:14][CH:15]([CH2:23][CH2:40][N:35]3[CH2:34][CH2:33][CH:32]([c:29]4[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]4)[CH2:37][CH2:36]3)[CH:16]([c:18]3[cH:19][s:20][cH:21][cH:22]3)[CH2:17]2)[cH:2][cH:3][cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12