HRID2129222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID241

Benzene

C6H6

HCID167511

Rhodium(3+)

Rh+3

HCID22724576

未命名化合物

结构：COC(=O)C(=[N+]=[N-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID54200568

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(OC1CCC2CCC1(c1ccccc1)N2Cc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID88040453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-145a20933f0844f4874688f628b51e0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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