HRID2342405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)c1c(COc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)ccc(C(F)(F)F)c1O

HCID67119153

未命名化合物

HCID67119370

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccc(-c2ccc(OCc3ccc(C(F)(F)F)c(O)c3C(=O)OC(C)(C)C)cc2)c1)S(C)(=O)=O

HCID86617421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-821ba222bbed4cf98e6545a4370e147a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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