HRID298654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID1049

Pyridine

C5H5N

HCID3121

Valproic acid

C8H16O2

结构：CN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21

HCID5391

Temazepam

C16H13ClN2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

PRODUCTS

生成物

结构：CCCC(CCC)C(=O)OC1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=O

HCID23465564

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-257c5c27a46a4246a9c2571e8104a2c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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