HRID204997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID7034

4,4'-Dichlorobenzophenone

C13H8Cl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID8058

n-Hexane

C6H14

HCID66171

1-Vinylimidazole

C5H6N2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：C=Cn1ccnc1C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

HCID330103

NSC315855

C18H14Cl2N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df6d9a1255554100a6fb8dfda8de3130
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

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