HRID161588

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID2972

Deferiprone

C7H9NO2

HCID6342

Acetonitrile

C2H3N

HCID6371

Phosgene

CCl2O

HCID8471

Triethylamine

C6H15N

HCID94239

Methyl prolinate

C6H11NO2

HCID583307

未命名化合物

PRODUCTS

生成物

HCID19862589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a8e80a6ca6f48c8b6b8af1b4c8d5802
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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