HRID698924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8255

Isobutene

C4H8

HCID12082

Benzoic acid, 4-amino-, methyl ester

C8H9NO2

HCID80702

2,5-Dichlorobenzaldehyde

C7H4Cl2O

HCID105055

Ytterbium(3+)

Yb+3

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)C(C)(C)CC(c1cc(Cl)ccc1Cl)N2

HCID66587577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1f1801c50074aa8a3153151e97348ea
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

[CH2:22]=[C:23]([CH3:24])[CH3:25].[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([NH2:10])[cH:8][cH:9]1)=[O:11].[CH3:51][C:52]#[N:53].[Cl:12][c:13]1[c:14]([CH:15]=[O:16])[cH:17][c:18]([Cl:21])[cH:19][cH:20]1.[F:26][C:27]([F:28])([F:29])[S:30]([O-:31])(=[O:32])=[O:33].[F:35][C:36]([F:37])([F:38])[S:39]([O-:40])(=[O:41])=[O:42].[F:43][C:44]([F:45])([F:46])[S:47]([O-:48])(=[O:49])=[O:50].[OH2:54].[Yb+3:34]>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]2[c:7]([cH:8][cH:9]1)[NH:10][CH:15]([c:14]1[c:13]([Cl:12])[cH:20][cH:19][c:18]([Cl:21])[cH:17]1)[CH2:22][C:23]2([CH3:24])[CH3:25])=[O:11]