HRID2326143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)CC(NC(=O)c1ccc2ncccc2c1)C(=O)NC1CCC(C)N(S(=O)(=O)c2ccccn2)CC1O

HCID178446467

未命名化合物

结构：CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1CCC(C)N(C(=O)OCc2ccccc2)CC1O

HCID178446775

未命名化合物

PRODUCTS

生成物

HCID21036432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dd0034546ea4c43a3f52de9bbf9aa69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH3:35])[CH2:13][CH2:14][CH:15]([NH:19][C:20]([CH:21]([CH2:22][CH:23]([CH3:24])[CH3:25])[NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH:16]([OH:18])[CH2:17]1.[CH3:36][CH:37]([CH3:38])[CH2:39][CH:40]([NH:41][C:42]([c:43]1[cH:44][c:45]2[c:46]([cH:47][cH:48]1)[n:49][cH:50][cH:51][cH:52]2)=[O:53])[C:54](=[O:55])[NH:56][CH:57]1[CH2:58][CH2:59][CH:60]([CH3:61])[N:62]([S:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][n:69]2)(=[O:70])=[O:71])[CH2:72][CH:73]1[OH:74]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH:12]([CH3:35])[CH2:13][CH2:14][CH:15]([NH:19][C:20]([CH:21]([CH2:22][CH:23]([CH3:24])[CH3:25])[NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[C:16](=[O:18])[CH2:17]1