HRID310952

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12251

Methoxyacetic acid

C3H6O3

反应SMILES：CC(C)CN(C(CO)CCCNC(=O)C(N)Cc1cccc2ccccc12)S(=O)(=O)c1ccc(N)cc1

HCID18009027

未命名化合物

PRODUCTS

产物

反应SMILES：COCC(=O)NC(Cc1cccc2ccccc12)C(=O)NCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1

HCID18009079

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0122fc89297049109fdfca62a627d103
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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