HRID89859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2763297

2,4-Dibromo-1,3-thiazole

C3HBr2NS

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1

HCID76598402

未命名化合物

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：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1nc(Br)cs1

HCID178422018

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05a8ffbef9d44e5881267ecd12923033
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:42][c:43]1[s:44][cH:45][c:46]([Br:48])[n:47]1.[C:55](=[O:56])([O-:57])[O-:58].[CH3:138][CH2:139][OH:140].[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:39])[N:15]([CH2:19][c:20]3[c:21]([B:30]4[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41].[Na+:59].[Na+:60].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:39])[N:15]([CH2:19][c:20]3[c:21](-[c:43]4[s:44][cH:45][c:46]([Br:48])[n:47]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:40])[F:41]