HRID1225618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

结构：CC(c1ccc(OS(=O)(=O)C(F)(F)F)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID86629107

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCN(c2cc(C(O)(C(C)c3ccc(OS(=O)(=O)C(F)(F)F)cc3Cl)C(F)(F)F)ccn2)CC1

HCID86629108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-976313c5a2584b06b3b3448265aeac6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:31]([CH3:32])[O:33][C:34](=[O:35])[CH:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Cl:1][c:2]1[cH:3][c:4]([O:23][S:24](=[O:25])(=[O:26])[C:27]([F:28])([F:29])[F:30])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]1[cH:16][c:17]([Cl:21])[n:18][cH:19][cH:20]1)[CH3:22].[OH2:49]>>[Cl:1][c:2]1[cH:3][c:4]([O:23][S:24](=[O:25])(=[O:26])[C:27]([F:28])([F:29])[F:30])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]1[cH:16][c:17]([N:39]2[CH2:38][CH2:37][CH:36]([C:34]([O:33][CH2:31][CH3:32])=[O:35])[CH2:41][CH2:40]2)[n:18][cH:19][cH:20]1)[CH3:22]