HRID104826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID65526

4-Aminomethylbenzoic acid

C8H9NO2

结构：O=C(OCC1c2ccccc2-c2ccccc21)C1CC(=O)N(O)C1=O

HCID21653429

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21

HCID2756083

4-[({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)methyl]benzoic acid

C23H19NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4aea7f939e2e4336895b112447c2fa45
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:12](=[O:13])([O-:14])[O-:15].[ClH:43].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1.[Na+:16].[Na+:17].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[cH:18]1[cH:19][cH:20][cH:21][c:22]2[c:30]1[CH:29]([CH2:31][O:32][C:33](=[O:34])[CH:35]1[CH2:36][C:37](=[O:38])[N:39]([OH:40])[C:41]1=[O:42])[c:28]1[c:23]-2[cH:24][cH:25][cH:26][cH:27]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1)[C:33]([O:32][CH2:31][CH:29]1[c:28]2[c:23]([cH:24][cH:25][cH:26][cH:27]2)-[c:22]2[cH:21][cH:20][cH:19][cH:18][c:30]21)=[O:34]