HRID107939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID428029

3-(methylsulfonyl)aniline

C7H9NO2S

结构：O=C(O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1

HCID625381

[4-(1-Adamantyl)phenoxy]acetic acid

C18H22O3

PRODUCTS

生成物

结构：CS(=O)(=O)c1cccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1

HCID24810893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46bb733e5fde40efb69a5dd84c77789d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]12([c:11]3[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[OH:19])[cH:20][cH:21]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2.[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:23][S:24](=[O:25])(=[O:26])[c:27]1[cH:28][c:29]([NH2:33])[cH:30][cH:31][cH:32]1.[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[ClH:22].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:62].[OH:47][n:48]1[c:49]2[c:50]([cH:51][cH:52][cH:53][cH:54]2)[n:55][n:56]1>>[C:1]12([c:11]3[cH:12][cH:13][c:14]([O:15][CH2:16][C:17](=[O:18])[NH:33][c:29]4[cH:28][c:27]([S:24]([CH3:23])(=[O:25])=[O:26])[cH:32][cH:31][cH:30]4)[cH:20][cH:21]3)[CH2:2][CH:3]3[CH2:4][CH:5]([CH2:6][CH:7]([CH2:8]1)[CH2:9]3)[CH2:10]2