HRID685552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2736726

2,6-Dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile

C7HCl2F3N2

HCID21064651

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(O)CNC2CCN(c3cc(C(F)(F)F)c(C#N)c(Cl)n3)CC2)nc2ccccc21

HCID21928159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83400a1d46ca49e899ee95dc1ea3ab49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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