HRID172163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6342

Acetonitrile

C2H3N

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：CS(=O)(=O)c1ccc(C(CC2CCOCC2)C(=O)O)cc1Cl

HCID21959049

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)C(CC1CCOCC1)c1ccc(S(C)(=O)=O)c(Cl)c1

HCID59331393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0911849244514f77a07b85fe62811f00
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

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