HRID1540835

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81293

4-Aminocyclohexanol

C6H13NO

反应SMILES：Cc1cc(C(=O)O)ncc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1

HCID57736439

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(C(=O)NC2CCC(O)CC2)ncc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(F)cc1

HCID57736533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-78d6bbb90631479e8db3f8ec1c1d82a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:50]([N:51]=[C:52]=[N:53][CH2:54][CH2:55][CH2:56][N:57]([CH3:58])[CH3:59])[CH3:60].[CH2:68]([Cl:69])[Cl:70].[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[CH3:71][CH2:72][O:73][C:74](=[O:75])[CH3:76].[ClH:30].[ClH:49].[F:1][c:2]1[c:3]([CH:9]([c:10]2[c:11]([CH3:19])[cH:12][c:13]([C:16](=[O:17])[OH:18])[n:14][cH:15]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[NH2:31][CH:32]1[CH2:33][CH2:34][CH:35]([OH:38])[CH2:36][CH2:37]1.[OH:39][n:40]1[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[F:1][c:2]1[c:3]([CH:9]([c:10]2[c:11]([CH3:19])[cH:12][c:13]([C:16](=[O:17])[NH:31][CH:32]3[CH2:33][CH2:34][CH:35]([OH:38])[CH2:36][CH2:37]3)[n:14][cH:15]2)[S:20](=[O:21])(=[O:22])[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1