HRID152268

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID60984

Methyl bromoacetate

C3H5BrO2

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：COC(=O)CNC(Cc1cccc2ccccc12)C(=O)NCCCC(CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1

HCID67532279

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e7336d9a7d744e21a8e19f78aa9541f1
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

[Br:45][CH2:46][C:47](=[O:48])[O:49][CH3:50].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[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.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[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)[CH2:46][C:47](=[O:48])[O:49][CH3:50]