HRID699517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID550865

tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate

C10H19NO3

HCID2756251

3-nitro-5-(trifluoromethyl)phenol

C7H4F3NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1

HCID21959386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-417adedb0f0e4b668d67f38753710e44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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