HRID296088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID1520811

4-PYRIDIN-4-YL-BENZOIC ACID

C12H9NO2

HCID11358825

1-(6-Chloronaphthalene-2-sulfonyl)piperazine

C14H15ClN2O2S

PRODUCTS

生成物

结构：O=C(c1ccc(-c2ccncc2)cc1)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

HCID9957289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1bce21b09144b73822ce394b8503ec0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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