HRID95568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CC(=O)C1=C(C)NC(C)=C(C(=O)OC2CC(=O)N(Cc3ccccc3)C2=O)C1c1cccc2c(=O)cc(C)oc12

HCID178466939

未命名化合物

PRODUCTS

生成物

结构：CC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc2c(=O)cc(C)oc12

HCID67343533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3324a8e754c4ed8899a7b7fe1ade63e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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