HRID104690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23286

Cyclohexanol, 2-amino-

C6H13NO

HCID81531

Diisopropylethylamine

C8H19N

HCID57725414

未命名化合物

PRODUCTS

产物

HCID178485496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-98a029a785ad47ddb50aa7ff273eb535
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

[CH3:1][NH:2][C:3]([c:4]1[cH:5][c:6]([O:10][c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([S:18]([CH3:19])=[O:20])[o:17]3)[cH:21][cH:22]2)[cH:7][cH:8][n:9]1)=[O:23].[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[ClH:24].[NH2:25][CH:26]1[CH:27]([OH:32])[CH2:28][CH2:29][CH2:30][CH2:31]1>>[CH3:1][NH:2][C:3]([c:4]1[cH:5][c:6]([O:10][c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([NH:25][CH:26]4[CH:27]([OH:32])[CH2:28][CH2:29][CH2:30][CH2:31]4)[o:17]3)[cH:21][cH:22]2)[cH:7][cH:8][n:9]1)=[O:23]