HRID2159542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11355776

2,2,5-trimethyl-1,3-dioxane-5-carboxylic Acid

C8H14O4

结构：CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OC)CCNCC2)cc1

HCID54136994

未命名化合物

PRODUCTS

生成物

结构：CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OC)CCN(C(=O)C3(C)COC(C)(C)OC3)CC2)cc1

HCID23513863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7746f41d47224b22adf593ebf1f067a1
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

[CH3:1][O:2][C:3](=[O:4])[C:5]1([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][C:22]#[C:23][CH3:24])[cH:18][cH:19]2)[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[CH3:25][C:26]1([CH3:36])[O:27][CH2:28][C:29]([CH3:32])([C:33](=[O:34])[OH:35])[CH2:30][O:31]1.[CH3:48][N:49]([CH3:50])[CH2:51][CH2:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH3:58].[CH3:59][N:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[ClH:47].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][O:2][C:3](=[O:4])[C:5]1([S:11](=[O:12])(=[O:13])[c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][C:22]#[C:23][CH3:24])[cH:18][cH:19]2)[CH2:6][CH2:7][N:8]([C:33]([C:29]2([CH3:32])[CH2:28][O:27][C:26]([CH3:25])([CH3:36])[O:31][CH2:30]2)=[O:34])[CH2:9][CH2:10]1