HRID1219367

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1cccc(Cl)c1S(=O)(=O)N(CCOCC(=O)O)C1CC1

HCID57916235

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(CCCN2CCCC2)(c2cccc(F)c2)CC1

HCID57917513

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(Cl)c1S(=O)(=O)N(CCOCC(=O)N1CCC(CCCN2CCCC2)(c2cccc(F)c2)CC1)C1CC1

HCID44252308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b614bffc069d4a0fb3d549d6f2e7f170
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68].[CH:79]([N:80]([CH2:81][CH3:82])[CH:83]([CH3:84])[CH3:85])([CH3:86])[CH3:87].[Cl:36][c:37]1[c:38]([S:44](=[O:45])(=[O:46])[N:47]([CH:48]2[CH2:49][CH2:50]2)[CH2:51][CH2:52][O:53][CH2:54][C:55]([OH:56])=[O:57])[c:39]([CH3:43])[cH:40][cH:41][cH:42]1.[Cl:88][CH2:89][Cl:90].[F:1][c:2]1[cH:3][c:4]([C:8]2([CH2:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH2:27][CH2:28]3)[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[F:29][C:30]([F:31])([F:32])[C:33]([OH:34])=[O:35].[OH:69][n:70]1[c:71]2[c:72]([cH:73][cH:74][cH:75][cH:76]2)[n:77][n:78]1>>[F:1][c:2]1[cH:3][c:4]([C:8]2([CH2:21][CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH2:27][CH2:28]3)[CH2:9][CH2:10][N:11]([C:14](=[O:15])[CH2:54][O:53][CH2:52][CH2:51][N:47]([S:44]([c:38]3[c:37]([Cl:36])[cH:42][cH:41][cH:40][c:39]3[CH3:43])(=[O:45])=[O:46])[CH:48]3[CH2:49][CH2:50]3)[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1