HRID178282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1Cc2cccc(N3CCCC3=O)c2N(Cc2ccsc2)C1=O

HCID178446771

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(N)C(=O)NC1Cc2cccc(N3CCCC3=O)c2N(Cc2ccsc2)C1=O

HCID74946943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaf84345ccb14a91b7a145a2eb63d9e7
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

[CH3:2][CH:3]([CH2:4][CH:5]([C:6]([NH:7][CH:8]1[C:9](=[O:30])[N:10]([CH2:24][c:25]2[cH:26][s:27][cH:28][cH:29]2)[c:11]2[c:12]([N:18]3[C:19](=[O:23])[CH2:20][CH2:21][CH2:22]3)[cH:13][cH:14][cH:15][c:16]2[CH2:17]1)=[O:31])[NH:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH3:40].[ClH:1].[Na+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:41]>>[CH3:2][CH:3]([CH2:4][CH:5]([C:6]([NH:7][CH:8]1[C:9](=[O:30])[N:10]([CH2:24][c:25]2[cH:26][s:27][cH:28][cH:29]2)[c:11]2[c:12]([N:18]3[C:19](=[O:23])[CH2:20][CH2:21][CH2:22]3)[cH:13][cH:14][cH:15][c:16]2[CH2:17]1)=[O:31])[NH2:32])[CH3:40]