HRID191885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3687

未命名化合物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID11171619

N-(3-Butynyl)phthalimide

C12H9NO2

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

结构：O=C1c2ccccc2C(=O)N1CCC#Cc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O

HCID178514992

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62b8ba18c9ee487b9ffe1ed85a0b66f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:26]1(=[O:40])[c:27]2[c:28]([cH:36][cH:37][cH:38][cH:39]2)[C:29](=[O:35])[N:30]1[CH2:31][CH2:32][C:33]#[CH:34].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[I-:18].[I:1][c:2]1[c:3](=[O:17])[nH:4][c:5](=[O:16])[n:6]([CH:7]2[CH2:8][CH:9]([OH:10])[CH:11]([CH2:12][OH:13])[O:14]2)[cH:15]1.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1([C:34]#[C:33][CH2:32][CH2:31][N:30]2[C:26](=[O:40])[c:27]3[c:28]([cH:36][cH:37][cH:38][cH:39]3)[C:29]2=[O:35])[c:3](=[O:17])[nH:4][c:5](=[O:16])[n:6]([CH:7]2[CH2:8][CH:9]([OH:10])[CH:11]([CH2:12][OH:13])[O:14]2)[cH:15]1