HRID165141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl Acetate

C4H8O2

反应SMILES：CC(C)(C)OC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)O

HCID4293568

未命名化合物

HCID178503773

未命名化合物

PRODUCTS

产物

反应SMILES：CSCCC(NC(=O)C(Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)C(=O)N(C)CCCc1ccccc1

HCID178503759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6b9853b4fee94fd086cdee328343cda1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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