HRID1221531

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3559319

N-Boc-2-Cyclohexyl-DL-glycine

C13H23NO4

结构：CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(N)cc(S(C)(=O)=O)c3)nc21

HCID59286174

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(NC(=O)C(NC(=O)OC(C)(C)C)C4CCCCC4)cc(S(C)(=O)=O)c3)nc21

HCID68425194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d371ac2d6ab043869d8a6486b33cb861
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[NH2:19][c:20]1[cH:21][c:22]([NH:30][c:31]2[n:32][c:33]3[c:38]([cH:39][n:40]2)[N:37]([CH3:41])[C:36](=[O:42])[CH2:35][N:34]3[CH:43]([CH3:44])[CH3:45])[cH:23][c:24]([S:26](=[O:27])(=[O:28])[CH3:29])[cH:25]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[NH:19][c:20]1[cH:21][c:22]([NH:30][c:31]2[n:32][c:33]3[c:38]([cH:39][n:40]2)[N:37]([CH3:41])[C:36](=[O:42])[CH2:35][N:34]3[CH:43]([CH3:44])[CH3:45])[cH:23][c:24]([S:26](=[O:27])(=[O:28])[CH3:29])[cH:25]1)[CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1