HRID807083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID18921

Thiophene, 2-iodo-

C4H3IS

HCID30165

Iodide ion

I-

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

结构：C#CCN1CCC(CCC(=O)c2ccnc3ccc(OC)cc23)C(CC(=O)OC)C1

HCID178456231

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1CN(CC#Cc2cccs2)CCC1CCC(=O)c1ccnc2ccc(OC)cc12

HCID178499548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcffdd5a73c14c4fa0c17d7ba748ea49
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:137][CH2:138][N:139]([CH2:140][CH3:141])[CH2:142][CH3:143].[CH3:57][C:58]#[N:59].[I-:20].[I:21][c:22]1[s:23][cH:24][cH:25][cH:26]1.[O:27]=[C:28]([CH2:29][CH2:30][CH:31]1[CH:32]([CH2:40][C:41](=[O:42])[O:43][CH3:44])[CH2:33][N:34]([CH2:37][C:38]#[CH:39])[CH2:35][CH2:36]1)[c:45]1[cH:46][cH:47][n:48][c:49]2[cH:50][cH:51][c:52]([O:55][CH3:56])[cH:53][c:54]12.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[c:22]1([C:39]#[C:38][CH2:37][N:34]2[CH2:33][CH:32]([CH2:40][C:41](=[O:42])[O:43][CH3:44])[CH:31]([CH2:30][CH2:29][C:28](=[O:27])[c:45]3[cH:46][cH:47][n:48][c:49]4[cH:50][cH:51][c:52]([O:55][CH3:56])[cH:53][c:54]34)[CH2:36][CH2:35]2)[s:23][cH:24][cH:25][cH:26]1