HRID676397

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

HCID2776250

(2,4-Dimethyl-1,3-thiazol-5-yl)methanol

C6H9NOS

结构：CCCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID135401222

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(C)n(Cc2sc(C)nc2C)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

HCID57460203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bfc8ee590b44809a88f1406650843ac
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

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