HRID1143908

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID8855

Butyryl chloride

C4H7ClO

结构：CCCCCCCCCCOc1cnc(-c2ccc(C=CC(C)O)cc2)nc1

HCID54343164

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCOc1cnc(-c2ccc(C=CC(C)OC(=O)CCC)cc2)nc1

HCID54572593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61f20c481fb2434caebed06d64b10d1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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