HRID153822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(NC(=O)c3ccccc3)c1)N2

HCID67442500

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(NC(=O)c2ccccc2)c1

HCID53492450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60d805f8bc2347349e9291441d138ae6
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

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