HRID2325026

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5437

Thiazolidinedione

C3H3NO2S

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

结构：O=C1Nc2cc(F)c(CO)cc2C1=Cc1cc(CN2CCOCC2)c[nH]1

HCID66636473

未命名化合物

HCID86609045

未命名化合物

PRODUCTS

生成物

结构：O=C1Nc2cc(F)c(CN3C(=O)CSC3=O)cc2C1=Cc1cc(CN2CCOCC2)c[nH]1

HCID86662434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77887253f9af45179507f423640db192
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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