HRID1239575

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(O)C(F)(F)F)cc2)nc1

HCID54106197

未命名化合物

PRODUCTS

生成物

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

HCID54507690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebaaf810236e4bf2ac67933993c646da
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

[C:32]([CH2:33][CH2:34][CH3:35])(=[O:36])[Cl:37].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]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)[C:28]([F:29])([F:30])[F:31].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]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)[C:28]([F:29])([F:30])[F:31])[C:32]([CH2:33][CH2:34][CH3:35])=[O:36]