HRID1221872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID11252324

2-Pyridinepentanoic acid

C10H13NO2

HCID57781272

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCC1CCc2ccc(NC(=O)CCCCc3ccccn3)c(O)c21

HCID57781225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4829b02ea4db4020a66f4c17f5fa5905
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[ClH:18].[NH2:19][c:20]1[cH:21][cH:22][c:23]2[c:27]([c:28]1[OH:29])[CH:26]([CH2:30][CH2:31][NH:32][C:33]([CH3:34])=[O:35])[CH2:25][CH2:24]2.[OH2:36].[S:14]([Cl:15])([Cl:16])=[O:17].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1.[n:1]1[c:2]([CH2:7][CH2:8][CH2:9][CH2:10][C:11](=[O:12])[OH:13])[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([CH2:7][CH2:8][CH2:9][CH2:10][C:11](=[O:13])[NH:19][c:20]2[cH:21][cH:22][c:23]3[c:27]([c:28]2[OH:29])[CH:26]([CH2:30][CH2:31][NH:32][C:33]([CH3:34])=[O:35])[CH2:25][CH2:24]3)[cH:3][cH:4][cH:5][cH:6]1