HRID192115

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6395

Methanesulfonic acid

CH4O3S

HCID7953

2,4,6-Trimethylpyridine

C8H11N

结构：CC(=O)OCC(=O)C1C(C)CC2C3CC(Cl)C4=CC(=O)C=CC4(C)C3C(O)CC21C

HCID178476425

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC(=O)C1C(C)CC2C3CC(Cl)C4=CC(=O)C=CC4(C)C3=CCC21C

HCID178476421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d17d2fda4cc54407a8fb70078b545f30
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])(=[O:3])[O:4][CH2:5][C:6]([CH:7]1[CH:8]([CH3:29])[CH2:9][CH:10]2[CH:11]3[CH2:12][CH:13]([Cl:28])[C:14]4=[CH:15][C:16](=[O:27])[CH:17]=[CH:18][C:19]4([CH3:20])[CH:21]3[CH:22]([OH:26])[CH2:23][C:24]12[CH3:25])=[O:30].[CH3:32][S:33]([OH:34])(=[O:35])=[O:36].[Cl-:31].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:37].[n:38]1[c:39]([CH3:40])[cH:41][c:42]([CH3:43])[cH:44][c:45]1[CH3:46]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]([CH:7]1[CH:8]([CH3:29])[CH2:9][CH:10]2[CH:11]3[CH2:12][CH:13]([Cl:28])[C:14]4=[CH:15][C:16](=[O:27])[CH:17]=[CH:18][C:19]4([CH3:20])[C:21]3=[CH:22][CH2:23][C:24]12[CH3:25])=[O:30]