HRID318338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID767913

未命名化合物

HCID5006170

1-(3-chlorophenyl)ethanamine

C8H10ClN

PRODUCTS

生成物

结构：COc1ccc(C(=O)NC(C)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1

HCID45739134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98c10b1029004bb5a39422a5601d325b
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

[CH3:1][O:2][c:3]1[c:4]([S:12](=[O:13])(=[O:14])[N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1.[CH3:21][CH2:22][N:23]=[C:24]=[N:25][CH2:26][CH2:27][CH2:28][N:29]([CH3:30])[CH3:31].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:42][c:43]1[cH:44][c:45]([CH:49]([CH3:50])[NH2:51])[cH:46][cH:47][cH:48]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:63].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[CH3:1][O:2][c:3]1[c:4]([S:12](=[O:13])(=[O:14])[N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:5][c:6]([C:7](=[O:9])[NH:51][CH:49]([c:45]2[cH:44][c:43]([Cl:42])[cH:48][cH:47][cH:46]2)[CH3:50])[cH:10][cH:11]1