HRID316078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID31187

2H-Isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester

C11H9NO4

HCID5230283

3-Amino-3-[4-(benzyloxy)-3-methoxyphenyl]propanoic acid

C17H19NO4

PRODUCTS

生成物

结构：COc1cc(C(CC(=O)O)N2C(=O)c3ccccc3C2=O)ccc1OCc1ccccc1

HCID9802810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55c5e495a3e14bb0a59cb82d63ab2ffe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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