HRID2160303

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7370

Benzenesulfonamide

C6H7NO2S

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ncc(C(=O)O)s1

HCID22105530

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ncc(C(=O)NS(=O)(=O)c2ccccc2)s1

HCID22105582

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d03542da89b8496783fbece79a01a1cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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