HRID2338204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CN(C(=O)OC(C)(C)C)CC(C)(C(=O)[O-])C2)nc2ccc(F)cc21

HCID178495048

未命名化合物

PRODUCTS

生成物

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C(=O)O)CN(C(=O)OC(C)(C)C)C2)nc2ccc(F)cc21

HCID70872690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9eee2886e55442d86fd59ad581ba593
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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