HRID1220888

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733845

N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

C9H17NO4

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

HCID74946943

未命名化合物

PRODUCTS

生成物

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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-679123b958b3485b9c60416bc0161bd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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