HRID2130674

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID101369

Acetic acid, (2,6-dimethylphenoxy)- (9CI)

C10H12O3

反应SMILES：COc1ccc(CC(N)C(O)C(=O)N2CSC(C)(C)C2C(=O)NC(C)(C)C)cc1

HCID178490365

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc(CC(NC(=O)COc2c(C)cccc2C)C(O)C(=O)N2CSC(C)(C)C2C(=O)NC(C)(C)C)cc1

HCID178490361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9aebe7261ed84079be9676475d42fd7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([C:15]([CH:16]([CH:17]([CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[NH2:27])[OH:28])=[O:29])[CH2:10][S:11][C:12]1([CH3:13])[CH3:14].[CH3:30][c:31]1[c:32]([O:33][CH2:34][C:35](=[O:36])[OH:37])[c:38]([CH3:42])[cH:39][cH:40][cH:41]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][C:6](=[O:7])[CH:8]1[N:9]([C:15]([CH:16]([CH:17]([CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[NH:27][C:35]([CH2:34][O:33][c:32]2[c:31]([CH3:30])[cH:41][cH:40][cH:39][c:38]2[CH3:42])=[O:36])[OH:28])=[O:29])[CH2:10][S:11][C:12]1([CH3:13])[CH3:14]