HRID110642

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

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID3067253

4-(4-Chlorophenyl)-2-hydroxy-4-oxobutanoic acid

C10H9ClO4

HCID11470524

未命名化合物

PRODUCTS

生成物

结构：C#CCOc1ccc(CCNC(=O)C(O)CC(=O)c2ccc(Cl)cc2)cc1OC

HCID57885066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b501986f467b4a589c5139e28c6f1a71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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