HRID1559643

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：COCCCCn1c(C(=O)N(CC(C)C)C2CN(C(=O)OC(C)(C)C)CC(C)(C(=O)[O-])C2)nc2ccccc21

HCID178495047

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)nc2ccccc21

HCID58355625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbc023f3be6e4e9dae56cf53cf29771a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][C:2]1([C:37](=[O:38])[O-:39])[CH2:3][N:4]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[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][cH:27][cH:28][cH:29]3)[CH2:7]1.[CH3:42][OH:43].[Na+:41].[OH-:40]>>[CH:2]1([C:37](=[O:38])[OH:39])[CH2:3][N:4]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[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][cH:27][cH:28][cH:29]3)[CH2:7]1