HRID160862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID21864904

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cc1ccc(Sc2ccccc2C2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1

HCID21864915

1,1-Dimethylethyl 4-hydroxy-4-[2-[(4-methylphenyl)thio]phenyl]-1-piperidinecarboxylate

C23H29NO3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-519d1bbc724f4a749267544fbc5c9e43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:6][c:7]1[c:8]([S:13][c:14]2[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[cH:9][cH:10][cH:11][cH:12]1.[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][C:31](=[O:34])[CH2:32][CH2:33]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[Cl-:35].[NH4+:36]>>[c:7]1([C:31]2([OH:34])[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:33][CH2:32]2)[c:8]([S:13][c:14]2[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[cH:9][cH:10][cH:11][cH:12]1