HRID159635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9828

4'-Fluoroacetophenone

C8H7FO

HCID28486

Lithium ion

Li+

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID5062348

未命名化合物

结构：Cc1nc(C(=O)N2CCCCC2CC(=O)O)c(-c2ccc(F)cc2)s1

HCID23146320

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)N2CCCCC2CC(=O)CC(=O)c2ccc(F)cc2)c(-c2ccc(F)cc2)s1

HCID67158631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97fcb2d7e7e1444cb94ba211f88e2d59
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

[CH2:26]([O:27][C:28]([Cl:29])=[O:30])[CH:31]([CH3:32])[CH3:33].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH:44]([N-:45][CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[N:16]3[CH:17]([CH2:22][C:23](=[O:24])[OH:25])[CH2:18][CH2:19][CH2:20][CH2:21]3)[n:10][c:11]([CH3:13])[s:12]2)[cH:6][cH:7]1.[F:34][c:35]1[cH:36][cH:37][c:38]([C:41]([CH3:42])=[O:43])[cH:39][cH:40]1.[Li+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[N:16]3[CH:17]([CH2:22][C:23](=[O:25])[CH2:42][C:41]([c:38]4[cH:37][cH:36][c:35]([F:34])[cH:40][cH:39]4)=[O:43])[CH2:18][CH2:19][CH2:20][CH2:21]3)[n:10][c:11]([CH3:13])[s:12]2)[cH:6][cH:7]1