HRID169065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID9993

1-Bromo-4-fluorobenzene

C6H4BrF

结构：CC(C)(C)CC(N=CC(F)(F)c1ccccn1)C12OCC(C)(CO1)CO2

HCID67391426

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)CC(NC(c1ccc(F)cc1)C(F)(F)c1ccccn1)C12OCC(C)(CO1)CO2

HCID67391812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-059538b9bec543e4b41899bfe67819e3
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([F:8])[cH:6][cH:7]1.[CH3:9][CH2:10][CH2:11][CH2:12][Li:13].[F:14][C:15]([CH:16]=[N:17][CH:18]([CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:24]12[O:25][CH2:26][C:27]([CH3:32])([CH2:28][O:29]1)[CH2:30][O:31]2)([c:33]1[n:34][cH:35][cH:36][cH:37][cH:38]1)[F:39].[OH2:40]>>[c:2]1([CH:16]([C:15]([F:14])([c:33]2[n:34][cH:35][cH:36][cH:37][cH:38]2)[F:39])[NH:17][CH:18]([CH2:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:24]23[O:25][CH2:26][C:27]([CH3:32])([CH2:28][O:29]2)[CH2:30][O:31]3)[cH:3][cH:4][c:5]([F:8])[cH:6][cH:7]1