HRID162693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)C(Cc1ccc(OCCNC(=O)c2ccc(-c3ccccn3)cc2)cc1)n1cccc1

HCID18626034

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCOc1ccc(CC(C(=O)O)n2cccc2)cc1)c1ccc(-c2ccccn2)cc1

HCID18625805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcf293d61a744dff92d999d7e609e941
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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