HRID309971

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(N(C(N)=O)C(C)C)c1)N2

HCID67441659

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(C(N)=O)c1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1

HCID53492517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d86347be056e469a9b651f4c2a32c116
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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]([N:22]([C:23](=[O:24])[NH2:25])[CH:26]([CH3:27])[CH3:28])[cH:19][cH:20][cH:21]1)[C:10]([CH3:29])([CH3:30])[CH2:9]2.[CH3:32][OH:33].[ClH:31].[Na+:40].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH-:39].[OH2:41]>>[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]([N:22]([C:23](=[O:24])[NH2:25])[CH:26]([CH3:27])[CH3:28])[cH:19][cH:20][cH:21]1)[C:10]([CH3:29])([CH3:30])[CH2:9]2