HRID666820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID2764081

N-Boc-4-piperidinemethanol

C11H21NO3

HCID14982676

4'-(Methanesulfonyl)[1,1'-biphenyl]-4-ol

C13H12O3S

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)CC1

HCID59177791

1,1-Dimethylethyl 4-[[[4′-(methylsulfonyl)[1,1′-biphenyl]-4-yl]oxy]methyl]-1-piperidinecarboxylate

C24H31NO5S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5badc43259764fa4a2c1a761ba9b0b12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:18](=[O:19])([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[N:25]1[CH2:26][CH2:27][CH:28]([CH2:31][OH:32])[CH2:29][CH2:30]1.[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]2)[cH:9][cH:10]1.[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[O:52]=[C:53]([O:54][CH:55]([CH3:56])[CH3:57])[N:58]=[N:59][C:60]([O:61][CH:62]([CH3:63])[CH3:64])=[O:65].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([O:17][CH2:31][CH:28]3[CH2:27][CH2:26][N:25]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:30][CH2:29]3)[cH:15][cH:16]2)[cH:9][cH:10]1