HRID1565765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID1514430

tert-Butyl 4-formylpiperidine-1-carboxylate

C11H19NO3

HCID3280088

未命名化合物

结构：c1ccc([P+](Cc2cc3cnccc3o2)(c2ccccc2)c2ccccc2)cc1

HCID57659519

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C=Cc2cc3cnccc3o2)CC1

HCID68940471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8605878cc1514693a5c635912604e8ee
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

[Br-:12].[C:42]([CH3:43])([CH3:44])([CH3:45])[O:46][C:47](=[O:48])[N:49]1[CH2:50][CH2:51][CH:52]([CH:55]=[O:56])[CH2:53][CH2:54]1.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[ClH:11].[Li+:1].[o:13]1[c:14]([CH2:22][P+:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:15][c:16]2[cH:17][n:18][cH:19][cH:20][c:21]12>>[o:13]1[c:14]([CH:22]=[CH:55][CH:52]2[CH2:51][CH2:50][N:49]([C:47]([O:46][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:48])[CH2:54][CH2:53]2)[cH:15][c:16]2[cH:17][n:18][cH:19][cH:20][c:21]12