HRID289436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

HCID98609

Tetrahydro-2-(2-propynyloxy)-2H-pyran

C8H12O2

HCID178418587

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Nc1cc2c(O)n(C#CCOC3CCCCO3)cnc-2n1

HCID178418609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-709cd8d93e914648af8867b3733148e5
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

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