HRID686605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

结构：COc1c(F)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12

HCID10566894

未命名化合物

HCID15670691

N-Methylpiperidin-3-amine

C6H14N2

PRODUCTS

生成物

结构：CNC1CCCN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)C1

HCID15670692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f6cec9169a045298710cdcdda20fbb5
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

[CH3:24][NH:25][CH:26]1[CH2:27][NH:28][CH2:29][CH2:30][CH2:31]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40]#[N:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[ClH:23].[NH2:1][c:2]1[c:3]2[c:4](=[O:22])[c:5]([C:19](=[O:20])[OH:21])[cH:6][n:7]([CH:16]3[CH2:17][CH2:18]3)[c:8]2[c:9]([O:14][CH3:15])[c:10]([F:13])[c:11]1[F:12]>>[NH2:1][c:2]1[c:3]2[c:4](=[O:22])[c:5]([C:19](=[O:20])[OH:21])[cH:6][n:7]([CH:16]3[CH2:17][CH2:18]3)[c:8]2[c:9]([O:14][CH3:15])[c:10]([N:28]2[CH2:27][CH:26]([NH:25][CH3:24])[CH2:31][CH2:30][CH2:29]2)[c:11]1[F:12]