HRID1575101

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

结构：CC(C)(C)OC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)CC1

HCID10991161

tert-Butyl 4-[(trifluoromethanesulfonyl)oxy]-3,6-dihydropyridine-1(2H)-carboxylate

C11H16F3NO5S

结构：O=C(CC(c1ccc(OCc2cccc(B(O)O)c2)cc1)c1ccon1)N1C(=O)OCC1Cc1ccccc1

HCID72251057

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2cccc(COc3ccc(C(CC(=O)N4C(=O)OCC4Cc4ccccc4)c4ccon4)cc3)c2)CC1

HCID178451742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb04ab268d3244de850531b13de1cc47
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH2:15][CH:16]([c:17]2[n:18][o:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][c:25]([O:26][CH2:27][c:28]3[cH:29][c:30]([B:34]([OH:35])[OH:36])[cH:31][cH:32][cH:33]3)[cH:37][cH:38]2)=[O:39])[C:10](=[O:13])[O:11][CH2:12]1.[Cl-:68].[F:40][C:41]([F:42])([F:43])[S:44]([O:45][C:46]1=[CH:47][CH2:48][N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]1)(=[O:59])=[O:60].[Li+:67].[Na+:61].[Na+:62].[O-:63][C:64](=[O:65])[O-:66].[OH2:69]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:14]([CH2:15][CH:16]([c:17]2[n:18][o:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][c:25]([O:26][CH2:27][c:28]3[cH:29][c:30]([C:46]4=[CH:47][CH2:48][N:49]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:50][CH2:51]4)[cH:31][cH:32][cH:33]3)[cH:37][cH:38]2)=[O:39])[C:10](=[O:13])[O:11][CH2:12]1