HRID673212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8471

Triethylamine

C6H15N

HCID10821

Phenylacetylene

C8H6

HCID11776

Triphenylphosphine

C18H15P

HCID105144

Palladium(2+)

Pd+2

HCID24902977

5-Bromo-2-nitro-N-(propan-2-yl)aniline

C9H11BrN2O2

PRODUCTS

生成物

结构：CC(C)Nc1cc(C#Cc2ccccc2)ccc1[N+](=O)[O-]

HCID66868815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d0d733a2ac0438b909059f5884f1638
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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