HRID168548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6525

1-Ethynylcyclohexanol

C8H12O

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

HCID57608389

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCCc1cccc(C#CC2(O)CCCCC2)c1)C(F)(F)F

HCID86635852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b1282a6a6b04b3eac245ad93cb9bdf0
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:1][c:2]1[cH:3][c:4]([CH2:8][CH2:9][CH2:10][NH:11][C:12]([C:13]([F:14])([F:15])[F:16])=[O:17])[cH:5][cH:6][cH:7]1.[C:18](#[CH:19])[C:20]1([OH:26])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cu:34][I:35].[Pd:36]([Cl:37])[Cl:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:2]1([C:19]#[C:18][C:20]2([OH:26])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:3][c:4]([CH2:8][CH2:9][CH2:10][NH:11][C:12]([C:13]([F:14])([F:15])[F:16])=[O:17])[cH:5][cH:6][cH:7]1