HRID1116931

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID8058

n-Hexane

C6H14

HCID47444761

未命名化合物

HCID178418400

未命名化合物

PRODUCTS

生成物

结构：CC(C)(c1ccccc1)N1C(=O)c2cccc(Cl)c2C1O

HCID68490043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93d88da615bd4c61b9afd1b4c58d1891
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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