HRID124342

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

HCID178446578

未命名化合物

PRODUCTS

生成物

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

HCID178446576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0067b8e3a15748cf8d26d550448327e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:2][C:3]([C:4](=[O:5])[NH:6][CH:7]([C:8]([NH:9][CH:10]1[C:11](=[O:32])[N:12]([CH2:26][c:27]2[cH:28][s:29][cH:30][cH:31]2)[c:13]2[c:14]([N:20]3[C:21](=[O:25])[CH2:22][CH2:23][CH2:24]3)[cH:15][cH:16][cH:17][c:18]2[CH2:19]1)=[O:33])[CH2:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[NH:39][C:40](=[O:41])[O:42][C:43]([CH3:44])([CH3:45])[CH3:46].[ClH:1].[Na+:48].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH-:47]>>[CH3:2][C:3]([C:4](=[O:5])[NH:6][CH:7]([C:8]([NH:9][CH:10]1[C:11](=[O:32])[N:12]([CH2:26][c:27]2[cH:28][s:29][cH:30][cH:31]2)[c:13]2[c:14]([N:20]3[C:21](=[O:25])[CH2:22][CH2:23][CH2:24]3)[cH:15][cH:16][cH:17][c:18]2[CH2:19]1)=[O:33])[CH2:34][CH:35]([CH3:36])[CH3:37])([CH3:38])[NH2:39]