HRID1560487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9731

4-Fluoroaniline

C6H6FN

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID22031128

4-Piperidinecarboxylic acid, 1-(6-bromo-4-quinolinyl)-

C15H15BrN2O2

PRODUCTS

生成物

结构：O=C(Nc1ccc(F)cc1)C1CCN(c2ccnc3ccc(Br)cc23)CC1

HCID23537265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4cc69c3dc33492fb364e75f3f7db4f9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:16][c:17]1[cH:18][c:19]2[c:20]([N:27]3[CH2:28][CH2:29][CH:30]([C:33](=[O:34])[OH:35])[CH2:31][CH2:32]3)[cH:21][cH:22][n:23][c:24]2[cH:25][cH:26]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[Cl:8][C:9]([O:10][CH2:11][CH:12]([CH3:13])[CH3:14])=[O:15].[NH2:36][c:37]1[cH:38][cH:39][c:40]([F:41])[cH:42][cH:43]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49]>>[Br:16][c:17]1[cH:18][c:19]2[c:20]([N:27]3[CH2:28][CH2:29][CH:30]([C:33](=[O:35])[NH:36][c:37]4[cH:38][cH:39][c:40]([F:41])[cH:42][cH:43]4)[CH2:31][CH2:32]3)[cH:21][cH:22][n:23][c:24]2[cH:25][cH:26]1