HRID681390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID22507737

(4-Methylpiperidin-4-yl)methanol

C7H15NO

HCID86597258

未命名化合物

PRODUCTS

产物

HCID86597276

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d54fe0a5d2e6476d994e8e1b4393a09d
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

[CH3:35][C:36]1([CH2:42][OH:43])[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:53][CH:54]([Cl:55])[CH3:56].[F:28][C:29]([F:30])([F:31])[C:32]([OH:33])=[O:34].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[c:1]1([O:2][C:8]([NH:9][c:10]2[s:11][c:12]3[c:13]([N:21]4[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[n:14][cH:15][c:16]([O:19][CH3:20])[c:17]3[n:18]2)=[O:27])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([NH:9][c:10]1[s:11][c:12]2[c:13]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[n:14][cH:15][c:16]([O:19][CH3:20])[c:17]2[n:18]1)(=[O:27])[N:39]1[CH2:38][CH2:37][C:36]([CH3:35])([CH2:42][OH:43])[CH2:41][CH2:40]1