HRID319635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID138823

Cyclopropylacetylene

C5H6

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#CC3CC3)ccc1CC21CCC1

HCID57386669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-34f4ce847ca3439c8b3c1671172dfd51
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[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.[C:20](#[CH:21])[CH:22]1[CH2:23][CH2:24]1.[CH3:25][CH2:26][N:27]([CH2:28][CH3:29])[CH2:30][CH3:31].[I-:32].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([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)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:2]1([C:21]#[C:20][CH:22]2[CH2:23][CH2:24]2)[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