HRID150374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID105144

Palladium(2+)

Pd+2

HCID7147089

未命名化合物

HCID22031226

Methyl 4-bromo-2-methylbenzoate

C9H9BrO2

结构：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

生成物

结构：COC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1C

HCID59385264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4590caa9918b4e5e94b48f95e7122699
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

[Br:18][c:19]1[cH:20][c:21]([F:36])[c:22]([NH:25][c:26]2[s:27][c:28]3[c:29]([n:30]2)[cH:31][cH:32][c:33]([F:35])[cH:34]3)[cH:23][cH:24]1.[Br:1][c:2]1[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[K+:17].[Na+:41].[O-:13][C:14]([CH3:15])=[O:16].[O-:37][C:38]([OH:39])=[O:40].[O-:48][C:49]([CH3:50])=[O:51].[O-:52][C:53]([CH3:54])=[O:55].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:133].[Pd+2:47].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([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)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:19]2[cH:20][c:21]([F:36])[c:22]([NH:25][c:26]3[s:27][c:28]4[c:29]([n:30]3)[cH:31][cH:32][c:33]([F:35])[cH:34]4)[cH:23][cH:24]2)[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1