HRID156526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID19660

Carbonate

CO3-2

HCID61523

Benzenepentanol

C11H16O

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(O)cc2)C(O)C1

HCID21713087

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCCc3ccccc3)cc2)C(O)C1

HCID86604476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ea4bb2063394c3aa19511d15c0701da
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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