HRID288770

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(-c3ccc(C(=O)NC(C)(C)C)cc3)c1)N2

HCID67441710

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1ccc(-c2cccc(C3Nc4ccc(C(=O)O)cc4CC3(C)C)c2)cc1

HCID58476288

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0f50dc023aa49beb3c51c7a960c09b7
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](-[c:22]3[cH:23][cH:24][c:25]([C:28]([NH:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[cH:26][cH:27]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:35])([CH3:36])[CH2:9]2.[CH3:40][OH:41].[ClH:39].[Na+:38].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:37].[OH2:47]>>[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](-[c:22]3[cH:23][cH:24][c:25]([C:28]([NH:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[cH:26][cH:27]3)[cH:19][cH:20][cH:21]1)[C:10]([CH3:35])([CH3:36])[CH2:9]2