HRID1547924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：COC(=O)c1cccc(C(=O)N(C)Cc2ccc(F)c(Br)c2)c1

HCID57813368

未命名化合物

结构：CC1CN(Cc2cccc(B(O)O)c2)CCN1C(=O)OC(C)(C)C

HCID74391073

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：COC(=O)c1cccc(C(=O)N(C)Cc2ccc(F)c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)C(C)C4)c3)c2)c1

HCID178497869

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28dc2210aaf74864adbc226e7ab00728
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][cH:22]2)[CH3:23])[cH:5][cH:6][c:7]1[F:8].[CH3:24][C:25]([CH3:26])([CH3:27])[O:28][C:29](=[O:30])[N:31]1[CH:32]([CH3:47])[CH2:33][N:34]([CH2:37][c:38]2[cH:39][c:40]([B:44]([OH:45])[OH:46])[cH:41][cH:42][cH:43]2)[CH2:35][CH2:36]1.[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH2:60].[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>>[c:2]1(-[c:40]2[cH:39][c:38]([CH2:37][N:34]3[CH2:33][CH:32]([CH3:47])[N:31]([C:29]([O:28][C:25]([CH3:24])([CH3:26])[CH3:27])=[O:30])[CH2:36][CH2:35]3)[cH:43][cH:42][cH:41]2)[cH:3][c:4]([CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20][cH:21][cH:22]2)[CH3:23])[cH:5][cH:6][c:7]1[F:8]