HRID96543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID24350

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

CuI

HCID67607

Benzoyl chloride, 4-(trifluoromethyl)-

C8H4ClF3O

HCID11073648

n-boc-propargylamine

C8H13NO2

PRODUCTS

产物

HCID66832372

[4-Oxo-4-(4-trifluoromethyl-phenyl)but-2-ynyl]-carbamic acid tert-butyl ester

C16H16F3NO3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ec11030b8a1243b8a4c63260677082bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH2:9][C:10]#[CH:11].[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[Cu:78][I:79].[F:12][C:13]([c:14]1[cH:15][cH:16][c:17]([C:18](=[O:19])[Cl:20])[cH:21][cH:22]1)([F:23])[F:24].[Pd:37]([Cl:38])[Cl:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[NH:8][CH2:9][C:10]#[C:11][C:18]([c:17]1[cH:16][cH:15][c:14]([C:13]([F:12])([F:23])[F:24])[cH:22][cH:21]1)=[O:19]