HRID695146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC1(C)OB(c2ccc(C(=O)N3CCOCC3)cc2)OC1(C)C

HCID2760141

(Morpholin-4-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

C17H24BNO4

结构：CCN(c1cc(Br)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID66576790

5-Bromo-N-[(1,2-dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-2-methylbenzamide

C23H30BrN3O3

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：CCN(c1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1

HCID70872830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-277f12c22dca49beb782e2f52b1cf2b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1.[C:54](=[O:55])([O-:56])[O-:57].[Na+:58].[Na+:59].[O:31]1[CH2:32][CH2:33][N:34]([C:37](=[O:38])[c:39]2[cH:40][cH:41][c:42]([B:45]3[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]3)[cH:43][cH:44]2)[CH2:35][CH2:36]1.[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[OH2:66].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([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)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([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)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[P:111]([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)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[c:2]1(-[c:42]2[cH:41][cH:40][c:39]([C:37]([N:34]3[CH2:33][CH2:32][O:31][CH2:36][CH2:35]3)=[O:38])[cH:44][cH:43]2)[cH:3][c:4]([N:22]([CH:23]2[CH2:24][CH2:25][O:26][CH2:27][CH2:28]2)[CH2:29][CH3:30])[c:5]([CH3:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][c:11]2[c:12](=[O:19])[nH:13][c:14]([CH3:18])[cH:15][c:16]2[CH3:17])[cH:20]1