HRID2331421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID458519

2-(Ethylamino)-1-phenyl-1-propanone

C11H15NO

结构：CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)O)cs2)CC1

HCID2795531

2-[1-(tert-Butoxycarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylic acid

C14H20N2O4S

PRODUCTS

生成物

结构：CCN(C(=O)c1csc(C2CCN(C(=O)OC(C)(C)C)CC2)n1)C(C)C(=O)c1ccccc1

HCID3849190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c16bba4b8534b3a8f3fb9fa3bacde99
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

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