HRID1223185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID13512

3,3-Dimethylbutyne

C6H10

HCID30165

Iodide ion

I-

反应SMILES：CC1=NC2(N=C1N)c1cc(Br)ccc1CC21CCC1

HCID57386666

未命名化合物

反应SMILES：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

产物

反应SMILES：CC1=NC2(N=C1N)c1cc(C#CC(C)(C)C)ccc1CC21CCC1

HCID57386670

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-40f04535928f4ae9af8fe150bb3169c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:12]([cH:13]1)[C:11]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][CH2:10]3)[N:14]=[C:15]([CH3:19])[C:16]([NH2:18])=[N:17]1.[CH3:20][C:21]([C:22]#[CH:23])([CH3:24])[CH3:25].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[I-:33].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[c:2]1([C:23]#[C:22][C:21]([CH3:20])([CH3:24])[CH3:25])[cH:3][cH:4][c:5]2[c:12]([cH:13]1)[C:11]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][CH2:10]3)[N:14]=[C:15]([CH3:19])[C:16]([NH2:18])=[N:17]1