HRID1230178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

结构：C=Cc1nc2c(Cl)cccc2cc1C(C)N1C(=O)c2ccccc2C1=O

HCID68944684

未命名化合物

PRODUCTS

生成物

结构：CC(c1cc2cccc(Cl)c2nc1C(O)CO)N1C(=O)c2ccccc2C1=O

HCID76599375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03f1e229797a4abfa2de4ca78dedf610
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:27][N+:28]1([O-:29])[CH2:30][CH2:32][O:31][CH2:33][CH2:34]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:14]([CH3:15])[N:16]3[C:17](=[O:26])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[C:24]3=[O:25])[c:9]([CH:12]=[CH2:13])[n:10][c:11]12.[OH2:35].[OH:47][C:48]([CH2:49][C:50]([C:51](=[O:52])[OH:53])([CH2:54][C:55](=[O:56])[OH:57])[OH:58])=[O:59]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:14]([CH3:15])[N:16]3[C:17](=[O:26])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[C:24]3=[O:25])[c:9]([CH:12]([CH2:13][OH:35])[OH:31])[n:10][c:11]12