HRID138074

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID9256

Thiazole

C3H3NS

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

HCID69273

Benzoic acid, 4-iodo-, methyl ester

C8H7IO2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

产物

HCID11241445

Methyl 4-(1,3-thiazol-2-yl)benzoate

C11H9NO2S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4da500b902b44d728a84431a49913776
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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