HRID1240252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)N1C2C=C(OS(=O)(=O)C(F)(F)F)CC1CC2

HCID22648094

tert-Butyl 3-[(trifluoromethanesulfonyl)oxy]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate

C13H18F3NO5S

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(B3OCC(C)(C)CO3)cc1OCC2

HCID58204710

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(C3=CC4CCC(C3)N4C(=O)OC(C)(C)C)cc1OCC2

HCID58204462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce478477176449b996b948ae38c6c41a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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