HRID208861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID97053

Glycine, N-methyl-N-[(phenylmethoxy)carbonyl]-

C11H13NO4

结构：NCC1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21

HCID59021794

未命名化合物

PRODUCTS

生成物

结构：CN(CC(=O)NCC1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21)C(=O)OCc1ccccc1

HCID66651708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa044e1e7d61471097e0822b30f6a0dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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