HRID286982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID27099

Copper(2+)

Cu+2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID5520368

1,6-naphthyridin-5(6H)-one

C8H6N2O

结构：CC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3)c2)OC1(C)C

HCID53363355

未命名化合物

PRODUCTS

生成物

结构：O=c1c2cccnc2ccn1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1

HCID58229475

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16e8ae3bc70b4bcd82f4e1b81055ebec
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

[C:56]([O-:57])(=[O:58])[CH3:59].[C:61]([O-:62])(=[O:63])[CH3:64].[CH2:39]1[CH2:40][CH2:41][C:42]2=[N:47][CH2:46][CH2:45][CH2:44][N:43]2[CH2:48][CH2:49]1.[CH3:51][S:52]([CH3:53])=[O:54].[Cl:1][c:2]1[n:3][cH:4][c:5]([B:19]2[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1.[ClH:50].[Cu+2:60].[OH2:55].[n:28]1[cH:29][cH:30][cH:31][c:32]2[c:33](=[O:38])[nH:34][cH:35][cH:36][c:37]12>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[n:34]2[c:33](=[O:38])[c:32]3[cH:31][cH:30][cH:29][n:28][c:37]3[cH:36][cH:35]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]1