HRID292158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID9255

Oxazole

C3H3NO

HCID2758568

Dimethyl 5-iodoisophthalate

C10H9IO4

HCID178418339

Butyllithium

C4H9Li

反应SMILES：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1cc(C(=O)OC)cc(-c2ncco2)c1

HCID11379968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-185ecf6b32c045fea82780fdd4353643
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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