HRID307622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8258

2-Methyl-3-butyn-2-ol

C5H8O

HCID8471

Triethylamine

C6H15N

HCID280681

2-Bromo-5-chloro-3-nitropyridine

C5H2BrClN2O2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID57942532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48041608738949b8a47c890d50903148
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

[Br:1][c:2]1[n:3][cH:4][c:5]([Cl:11])[cH:6][c:7]1[N+:8](=[O:9])[O-:10].[CH3:12][C:13]([CH3:14])([C:15]#[CH:16])[OH:17].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[OH2:102].[cH:25]1[cH:26][cH:27][c:28]([P:29]([Pd:30]([P:31]([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)([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)([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101]1>>[c:2]1([C:16]#[C:15][C:13]([CH3:12])([CH3:14])[OH:17])[n:3][cH:4][c:5]([Cl:11])[cH:6][c:7]1[N+:8](=[O:9])[O-:10]