HRID2144809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID87074

Cyclopentanol, 1-ethynyl-

C7H10O

结构：CCC(CC)(c1ccc(-c2cncc(CC(=O)OC)c2)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)c(C)c1

HCID57709113

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)(c1ccc(-c2cncc(CC(=O)OC)c2)cc1)c1ccc(C#CC2(O)CCCC2)c(C)c1

HCID57709096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-427fa9b704eb42089117fee8d68fbb90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:45](#[CH:46])[C:47]1([OH:52])[CH2:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:53][C:54]#[N:55].[CH3:8][O:9][C:10]([CH2:11][c:12]1[cH:13][n:14][cH:15][c:16](-[c:18]2[cH:19][cH:20][c:21]([C:24]([CH2:25][CH3:26])([c:27]3[cH:28][c:29]([CH3:41])[c:30]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])[cH:31][cH:32]3)[CH2:42][CH3:43])[cH:22][cH:23]2)[cH:17]1)=[O:44].[Cu:56][I:57]>>[CH3:8][O:9][C:10]([CH2:11][c:12]1[cH:13][n:14][cH:15][c:16](-[c:18]2[cH:19][cH:20][c:21]([C:24]([CH2:25][CH3:26])([c:27]3[cH:28][c:29]([CH3:41])[c:30]([C:46]#[C:45][C:47]4([OH:52])[CH2:48][CH2:49][CH2:50][CH2:51]4)[cH:31][cH:32]3)[CH2:42][CH3:43])[cH:22][cH:23]2)[cH:17]1)=[O:44]