HRID145313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

反应SMILES：CCOC(=O)CCCC1c2ccc(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)c(C)c2CCN1C(=O)OC(C)(C)C

HCID59591088

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(-c2noc(-c3ccc(OC(C)C)c(Cl)c3)n2)ccc2c1CCN(C(=O)OC(C)(C)C)C2CCCC(=O)O

HCID59591074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a4022678e5eb4a81ae71101d5d543703
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

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