HRID957876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID122831

5-Methyl-2-pyrazinecarboxylic acid

C6H6N2O2

结构：CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C34OC4CC2(C)C1(O)C(=O)O

HCID178421782

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(C(=O)OC2(C(=O)O)C(C)CC3C4CC(F)C5=CC(=O)C=CC5(C)C45OC5CC32C)cn1

HCID178430589

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fee81f254eb74521a11ae3b16fc11cf3
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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