HRID1200440

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID17823

3-Amino-4-methoxybenzoic acid

C8H9NO3

结构：O=C1CC(C(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1

HCID9883579

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21

HCID10916111

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fda73a86265f4751ab314a00f3a92e42
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

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