HRID181172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC(C)(C)OC(=O)N1CCC1COc1cncc(CCc2cccc(CO)c2)c1

HCID72273055

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC1COc1cncc(CCc2cccc(CCl)c2)c1

HCID72273019

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d9aaeff53c44bc5a1c0bc311f477ad2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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