HRID1125339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID253

5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid

C10H16N2O3S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：Nc1ccc(-c2csc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)n2)cc1

HCID57849733

未命名化合物

PRODUCTS

生成物

结构：O=C(CCCCC1SCC2NC(=O)NC21)Nc1ccc(-c2csc(NC(=O)C3CCCN3C(=O)OCc3ccccc3)n2)cc1

HCID76582788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0f705501b3f4fdea76d12db94bf983c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:50]([c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[O:57][C:58](=[O:59])[N:60]1[CH:61]([C:65]([NH:66][c:67]2[s:68][cH:69][c:70](-[c:72]3[cH:73][cH:74][c:75]([NH2:78])[cH:76][cH:77]3)[n:71]2)=[O:79])[CH2:62][CH2:63][CH2:64]1.[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[CH:1]12[CH2:2][S:3][CH:4]([CH2:5][CH2:6][CH2:7][CH2:8][C:9]([OH:10])=[O:11])[CH:12]1[NH:13][C:14](=[O:15])[NH:16]2.[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH:1]12[CH2:2][S:3][CH:4]([CH2:5][CH2:6][CH2:7][CH2:8][C:9](=[O:11])[NH:78][c:75]3[cH:74][cH:73][c:72](-[c:70]4[cH:69][s:68][c:67]([NH:66][C:65]([CH:61]5[N:60]([C:58]([O:57][CH2:50][c:51]6[cH:52][cH:53][cH:54][cH:55][cH:56]6)=[O:59])[CH2:64][CH2:63][CH2:62]5)=[O:79])[n:71]4)[cH:77][cH:76]3)[CH:12]1[NH:13][C:14](=[O:15])[NH:16]2