HRID2350069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID57554789

未命名化合物

HCID67257864

未命名化合物

PRODUCTS

生成物

结构：COCCCCCC#Cc1ccc(C2CCC(N)(C(=O)OC)C2)cc1

HCID68936342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bd8270f92c6468995536011b06f0d45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:53](=[O:54])([O-:55])[O-:56].[CH3:59][O:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][C:66]#[CH:67].[CH3:68][C:69]#[N:70].[CH:19]1([P:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2-[c:33]2[c:34]([CH:35]([CH3:36])[CH3:37])[cH:38][c:39]([CH:40]([CH3:41])[CH3:42])[cH:43][c:44]2[CH:45]([CH3:46])[CH3:47])[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[ClH:1].[Cs+:57].[Cs+:58].[NH2:2][C:3]1([C:15](=[O:16])[O:17][CH3:18])[CH2:4][CH:5]([c:8]2[cH:9][cH:10][c:11]([Br:14])[cH:12][cH:13]2)[CH2:6][CH2:7]1>>[NH2:2][C:3]1([C:15](=[O:16])[O:17][CH3:18])[CH2:4][CH:5]([c:8]2[cH:9][cH:10][c:11]([C:67]#[C:66][CH2:65][CH2:64][CH2:63][CH2:62][CH2:61][O:60][CH3:59])[cH:12][cH:13]2)[CH2:6][CH2:7]1