HRID1537591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6924

o-Toluenesulfonamide

C7H9NO2S

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

结构：Cc1oc(C(=O)O)cc1COc1ccc(-c2ccccc2)cc1

HCID786859

4-[([1,1′-Biphenyl]-4-yloxy)methyl]-5-methyl-2-furancarboxylic acid

C19H16O4

PRODUCTS

生成物

结构：Cc1ccccc1S(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccccc3)cc2)c(C)o1

HCID18444631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff6d54a837744e8abe5fec382425b69f
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

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