HRID205940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID9255

Oxazole

C3H3NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

HCID15840391

3-Iodo-5-(methoxycarbonyl)benzoic acid

C9H7IO4

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID21085836

3-(Methoxycarbonyl)-5-(1,3-oxazol-2-yl)benzoic acid

C12H9NO5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3df6ce1cf3a04eb49fc4f81ddc9d89bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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