HRID192225

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)CCc1ccc(N(Cc2cccc(-c3c(C)cccc3C)c2)C(C)=O)cc1

HCID23157605

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(Cc1cccc(-c2c(C)cccc2C)c1)c1ccc(CCC(=O)O)cc1

HCID23157577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-234ff6372228401cb698f7efb931273c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][C:13](=[O:14])[O:15][CH3:16])[cH:9][cH:10]1)[CH2:17][c:18]1[cH:19][c:20](-[c:24]2[c:25]([CH3:31])[cH:26][cH:27][cH:28][c:29]2[CH3:30])[cH:21][cH:22][cH:23]1.[CH3:48][OH:49].[Na+:33].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:32].[OH2:34].[OH:35][C:36]([CH2:37][C:38]([C:39](=[O:40])[OH:41])([CH2:42][C:43](=[O:44])[OH:45])[OH:46])=[O:47]>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[cH:6][cH:7][c:8]([CH2:11][CH2:12][C:13](=[O:14])[OH:15])[cH:9][cH:10]1)[CH2:17][c:18]1[cH:19][c:20](-[c:24]2[c:25]([CH3:31])[cH:26][cH:27][cH:28][c:29]2[CH3:30])[cH:21][cH:22][cH:23]1