HRID2130652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID853178

2,6-Dimethoxypyridine-3-carboxylic acid

C8H9NO4

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：COc1ccc(C(=O)N(C)c2ccc(Cc3nc4c([nH]3)c(=O)n(Cc3ccccc3F)c(=O)n4CC3CC3)cc2)c(OC)n1

HCID10483696

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d77c51203f94800b7355c427e8ce586
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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