HRID696271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3442

Fusaric acid

C10H13NO2

HCID6228

Dimethylformamide

C3H7NO

HCID7917

Isopropyl chloroformate

C4H7ClO2

HCID8471

Triethylamine

C6H15N

HCID11360802

未命名化合物

PRODUCTS

产物

HCID21897785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dfcc9986d91e40dba0a1e047d2252932
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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