HRID91627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID13831

Tributylphosphine

C12H27P

HCID73042

1,1′-(1,2-Diazenediyl)bis[1-(1-piperidinyl)methanone]

C12H20N4O2

HCID520536

1-Phenylcyclopropanemethanol

C10H12O

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)[nH]c2nc(C)nn12

HCID136041272

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(CC2(c3ccccc3)CC2)c2nc(C)nn12

HCID67009531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecc290bc287348dd97aae526509bef19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:41]([P:42]([CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH3:53].[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:1][c:2]1[n:3][n:4]2[c:5]([nH:6][c:7](=[O:28])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:29]1.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[N:54]([C:55]([N:56]1[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1)=[O:62])=[N:63][C:64]([N:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1)=[O:71].[c:30]1([C:36]2([CH2:39][OH:40])[CH2:37][CH2:38]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:39][C:36]3([c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[CH2:37][CH2:38]3)[c:7](=[O:28])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21]([C:26]#[N:27])[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:29]1