HRID302699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID923

Sodium ion

Na+

HCID7104

3-Hydroxy-2-naphthoic acid

C11H8O3

HCID7964

Chlorobenzene

C6H5Cl

HCID12896386

3-Hydroxynaphthalene-2-carbonyl chloride

C11H7ClO2

HCID15250547

未命名化合物

PRODUCTS

生成物

结构：O=C1N=c2ccc(NC(=O)c3cc4ccccc4cc3O)cc2=N1

HCID20495683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b22188c7c444cd08b28698deb53955b
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

[CH3:13][C:14](=[O:15])[O-:16].[Cl:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:10][cH:11]1)=[N:6][C:7](=[O:9])[N:8]=2.[Na+:12].[OH:17][c:18]1[c:19]([C:28](=[O:29])[Cl:30])[cH:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[cH:27]1.[OH:31][c:32]1[c:33]([C:34]([OH:35])=[O:36])[cH:37][c:38]2[c:39]([cH:40]1)[cH:41][cH:42][cH:43][cH:44]2>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:10][cH:11]1)=[N:6][C:7](=[O:9])[N:8]=2)[C:28]([c:19]1[c:18]([OH:17])[cH:27][c:26]2[c:21]([cH:20]1)[cH:22][cH:23][cH:24][cH:25]2)=[O:29]