HRID2341477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID12719848

1-[4-(Trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

C12H12F3N

结构：Cc1nc(C)c(-c2cn(CCCCCl)c(=O)[nH]c2=O)o1

HCID58994187

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1nc(C)c(-c2cn(CCCCN3CC4CC4(c4ccc(C(F)(F)F)cc4)C3)c(=O)[nH]c2=O)o1

HCID178432718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c337f64774694c349832e07b0019e6fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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