HRID107913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID137860

6-Methylnicotinic acid

C7H7NO2

结构：CNc1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1

HCID21891691

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)N(C)c2ccc(Cc3nc4c([nH]3)c(=O)n(Cc3ccccc3F)c(=O)n4CC3CC3)cc2)cn1

HCID10007787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f72c1ea32f5a47e294e5e60375f9fb84
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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