HRID2135993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID61523

Benzenepentanol

C11H16O

反应SMILES：O=C(O)COc1ncc(C(=O)Nc2ccc(F)cc2)cn1

HCID21087356

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)OCCCCCc1ccccc1

HCID69522656

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9622c655ebcf4739ac9c623e820d6d1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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