HRID806964

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID574072

Trimethylboroxine

C3H9B3O3

结构：CC(C)(C)OC(=O)Nc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]

HCID69489376

1,1-Dimethylethyl N-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]carbamate

C12H12ClF3N2O4

PRODUCTS

生成物

结构：Cc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1C(F)(F)F

HCID69486745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8df0dd6b375e4c41b77e7ed17fe66bf5
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:19](=[O:20])[O-:21])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([Cl:14])[cH:13]1)=[O:22].[CH3:23][B:24]1[O:25][B:26]([CH3:27])[O:28][B:29]([CH3:30])[O:31]1.[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:32].[Pd:39].[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[c:59]1([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[cH:73][cH:74][cH:75][cH:76][cH:77]1.[c:78]1([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[cH:92][cH:93][cH:94][cH:95][cH:96]1.[c:97]1([P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112][cH:113][cH:114][cH:115]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:19](=[O:20])[O-:21])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:23])[cH:13]1)=[O:22]