HRID2345752

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14232

N-Methoxymethylamine

C2H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：O=C(O)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1

HCID10315084

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1

HCID59331597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4a2253d69d94d5aa661dc04f6dc93d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:2][O:3][NH:4][CH3:5].[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[CH:6]1([S:9](=[O:10])(=[O:11])[c:12]2[cH:13][cH:14][c:15]([CH:18]([C:19](=[O:20])[OH:21])[CH2:22][CH:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[cH:16][cH:17]2)[CH2:7][CH2:8]1.[ClH:1].[ClH:29].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:2][O:3][N:4]([CH3:5])[C:19]([CH:18]([c:15]1[cH:14][cH:13][c:12]([S:9]([CH:6]2[CH2:7][CH2:8]2)(=[O:10])=[O:11])[cH:17][cH:16]1)[CH2:22][CH:23]1[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:20]