HRID288919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

结构：COc1cc(C(=O)O)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

HCID58906399

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Cl)n1

HCID58200916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8340097d8aac4ba0a236b65418769a40
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

[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[c:14]([O:22][CH3:23])[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[NH2:28][CH:29]1[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]1.[S:24]([Cl:25])([Cl:26])=[O:27]>>[Cl:1][c:2]1[n:3][c:4]([NH:12][c:13]2[c:14]([O:22][CH3:23])[cH:15][c:16]([C:17](=[O:19])[NH:28][CH:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:20][cH:21]2)[n:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]