HRID694891

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCCCOC(=O)CC1c2ccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c(C)c2CCN1C(=O)OC(C)(C)C

HCID59591075

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)ccc2c1CCN(C(=O)OC(C)(C)C)C2CC(=O)O

HCID59591087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-131c745fdef449bfb3e60617eafd18a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6]([CH2:7][CH:8]1[N:9]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:10][CH2:11][c:12]2[c:13]([CH3:34])[c:14](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][c:25]([Cl:33])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[cH:15][cH:16][c:17]21)=[O:42].[CH3:45][CH2:46][OH:47].[Na+:44].[OH-:43]>>[O:5]=[C:6]([CH2:7][CH:8]1[N:9]([C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[CH2:10][CH2:11][c:12]2[c:13]([CH3:34])[c:14](-[c:18]3[n:19][o:20][c:21](-[c:23]4[cH:24][c:25]([Cl:33])[c:26]([O:29][CH:30]([CH3:31])[CH3:32])[cH:27][cH:28]4)[n:22]3)[cH:15][cH:16][c:17]21)[OH:42]