HRID2156528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID67464323

未命名化合物

结构：CN(C(=O)c1csc(C2CCNCC2)n1)C1CCCc2ccccc21

HCID69175811

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)N(C)C3CCCc4ccccc43)cs2)CC1

HCID67959373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c7797e7e6af483f9c6905668e361acf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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