HRID289865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID24350

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

CuI

结构：C#CC1(c2ccc(OC)c(OC3CCCC3)c2)CCC(=O)CC1

HCID10828930

未命名化合物

HCID53643629

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2(C#Cc3nccn3C(=O)C(C)(C)C)CCC(=O)CC2)cc1OC1CCCC1

HCID57281039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c4546d683a64f4ebca1587ebb0117d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:24]([CH3:25])([CH3:26])([CH3:27])[C:28](=[O:29])[n:30]1[c:31]([I:35])[n:32][cH:33][cH:34]1.[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:22]#[CH:23])[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cu:63][I:64].[OH2:55].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH:1]1([O:6][c:7]2[cH:8][c:9]([C:15]3([C:22]#[C:23][c:31]4[n:30]([C:28]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:29])[cH:34][cH:33][n:32]4)[CH2:16][CH2:17][C:18](=[O:21])[CH2:19][CH2:20]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[CH2:2][CH2:3][CH2:4][CH2:5]1