HRID182568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID57040916

未命名化合物

结构：C=CC(CC(O)C(CC1CCCCC1)NC(=O)C(N)Cc1c[nH]cn1)C(C)C

HCID178447062

未命名化合物

PRODUCTS

生成物

结构：C=CC(CC(O)C(CC1CCCCC1)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1ccccc1)OC(=O)CC(C)(C)C)C(C)C

HCID178447053

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39c1ebdf235247d5a2e4658b9a88c801
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

[C:48](=[O:49])([OH:50])[O-:51].[CH3:29][C:30]([CH2:31][C:32](=[O:33])[O:34][CH:35]([C:36](=[O:37])[OH:38])[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)([CH3:46])[CH3:47].[CH3:53][C:54]#[N:55].[NH2:1][CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH2:8][CH:9]([CH:10]=[CH2:11])[CH:12]([CH3:13])[CH3:14])[OH:15])[CH2:16][CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[CH2:23][c:24]1[n:25][cH:26][nH:27][cH:28]1.[Na+:52]>>[NH:1]([CH:2]([C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH2:8][CH:9]([CH:10]=[CH2:11])[CH:12]([CH3:13])[CH3:14])[OH:15])[CH2:16][CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[CH2:23][c:24]1[n:25][cH:26][nH:27][cH:28]1)[C:36]([CH:35]([O:34][C:32]([CH2:31][C:30]([CH3:29])([CH3:46])[CH3:47])=[O:33])[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)=[O:37]