HRID173531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID32051

Zinc (II) cation

Zn+2

HCID1514430

tert-Butyl 4-formylpiperidine-1-carboxylate

C11H19NO3

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

2 次

HCID13400635

2-Ethynyl-6-methylpyridine

C8H7N

PRODUCTS

生成物

结构：Cc1cccc(C#CC(O)C2CCN(C(=O)OC(C)(C)C)CC2)n1

HCID68725592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-030bccc653b840e69461725da5619fba
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

[C:17](=[O:18])([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[N:24]1[CH2:25][CH2:26][CH:27]([CH:30]=[O:31])[CH2:28][CH2:29]1.[C:8](#[CH:9])[c:10]1[n:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[F:40][C:41]([F:42])([F:43])[S:44]([O-:45])(=[O:46])=[O:47].[F:49][C:50]([F:51])([F:52])[S:53]([O-:54])(=[O:55])=[O:56].[OH2:39].[Zn+2:48]>>[C:8](#[C:9][CH:30]([CH:27]1[CH2:26][CH2:25][N:24]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:29][CH2:28]1)[OH:31])[c:10]1[n:11][c:12]([CH3:16])[cH:13][cH:14][cH:15]1