HRID121840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID70741

Benzaldehyde, 4-bromo-

C7H5BrO

HCID2771645

4-Ethynylbenzaldehyde

C9H6O

PRODUCTS

生成物

HCID14169731

4,4'-(Ethyne-1,2-diyl)dibenzaldehyde

C16H10O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00a7d3f6c8f8481792d3e1db4df1b063
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:11][c:12]1[cH:13][cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19]1.[C:1](#[CH:2])[c:3]1[cH:4][cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10]1.[CH3:97][CH2:98][N:99]([CH2:100][CH3:101])[CH2:102][CH3:103].[Pd:20].[c:21]1([P:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38][cH:39]1.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1>>[C:1](#[C:2][c:12]1[cH:13][cH:14][c:15]([CH:16]=[O:17])[cH:18][cH:19]1)[c:3]1[cH:4][cH:5][c:6]([CH:7]=[O:8])[cH:9][cH:10]1