HRID197560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID567352

1,4-Dioxaspiro[4.5]decan-8-ol

C8H14O3

结构：CCCc1nc(CC)n(-c2ccc(O)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460841

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(CC)n(-c2ccc(OC3CCC4(CC3)OCCO4)cc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID59469503

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-401e3907bddb4eb290ee4926a6b0c52e
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

[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1.[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[O:35]1[CH2:36][CH2:37][O:38][C:39]12[CH2:40][CH2:41][CH:42]([OH:45])[CH2:43][CH2:44]2.[O:46]=[C:47]([O:48][CH:49]([CH3:50])[CH3:51])[N:52]=[N:53][C:54]([O:55][CH:56]([CH3:57])[CH3:58])=[O:59].[O:85]1[CH2:86][CH2:87][CH2:88][CH2:89]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([O:34][CH:42]3[CH2:41][CH2:40][C:39]4([O:35][CH2:36][CH2:37][O:38]4)[CH2:44][CH2:43]3)[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1