HRID2146076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)CCNC(=O)c1ccc(NC(c2oc3ccc(Cl)nc3c2C)C2CCCCC2)cc1

HCID86662748

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(Nc2ccc(C(=O)NCCC(=O)O)cc2)C2CCCCC2)oc2ccc(Cl)nc12

HCID86672904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0e9c38c676243fba0beef3faf5acc86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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