HRID303189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12703

N,N-Diethylacetamide

C6H13NO

HCID16988

2,3-Dichloropyridine

C5H3Cl2N

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CSc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCNC2

HCID59021576

未命名化合物

PRODUCTS

生成物

结构：CSc1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1Cl)C2

HCID12004364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c174a9d6a5445a0b6f7eaf3313fd393
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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