HRID702711

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

HCID81750

2,4-Dimethoxybenzyl alcohol

C9H12O3

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)[nH]c2ncnn12

HCID136337139

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2F)c(=O)n(Cc2ccc(OC)cc2OC)c2ncnn12

HCID67008697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efb95beec1b54aebb7c5d6c881835742
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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