HRID676457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

结构：CCNC(=O)c1cc(F)c(C)c(B2OC(C)(C)C(C)(C)O2)c1

HCID57416242

N-Ethyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C16H23BFNO3

HCID178419306

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：CCNC(=O)c1cc(F)c(C)c(-c2ccc3c(C4CCOC4)n[nH]c3c2)c1

HCID178464893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-623226a7bf1c4d3faff41a296c311fc4
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][cH:4][c:5]2[c:6]([CH:11]3[CH2:12][O:13][CH2:14][CH2:15]3)[n:7][nH:8][c:9]2[cH:10]1.[C:38](=[O:39])([O-:40])[OH:41].[CH2:16]([CH3:17])[NH:18][C:19]([c:20]1[cH:21][c:22]([F:36])[c:23]([CH3:35])[c:24]([B:26]2[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]2)[cH:25]1)=[O:37].[CH:43]([OH:44])([CH3:45])[CH3:46].[Na+:42].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1(-[c:24]2[c:23]([CH3:35])[c:22]([F:36])[cH:21][c:20]([C:19]([NH:18][CH2:16][CH3:17])=[O:37])[cH:25]2)[cH:3][cH:4][c:5]2[c:6]([CH:11]3[CH2:12][O:13][CH2:14][CH2:15]3)[n:7][nH:8][c:9]2[cH:10]1