Bicarbonate Ion → HCID 10319217, compound

HRID 2348924Notes

Reaction equation

HRID 2348924 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([C:9](=[O:10])[NH:11][CH2:12][CH:13]3[CH2:14][CH2:15]3)[n:7][o:8]2)[cH:16][cH:17]1.[C:41](=[O:42])([O-:43])[OH:44].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:18]1([NH:21][C:22]([c:23]2[cH:24][c:25]([F:39])[c:26]([CH3:38])[c:27]([B:29]3[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]3)[cH:28]2)=[O:40])[CH2:19][CH2:20]1.[CH:52]([OH:53])([CH3:54])[CH3:55].[Na+:45].[OH2:133].[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:27]2[c:26]([CH3:38])[c:25]([F:39])[cH:24][c:23]([C:22]([NH:21][CH:18]3[CH2:19][CH2:20]3)=[O:40])[cH:28]2)[cH:3][c:4]2[c:5]([c:6]([C:9](=[O:10])[NH:11][CH2:12][CH:13]3[CH2:14][CH2:15]3)[n:7][o:8]2)[cH:16][cH:17]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 21914563N-cyclopropyl-3-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 586564981,2-Benzisoxazole-3-carboxamide, 6-bromo-N-(cyclopropylmethyl)-HCID 178420554HCID 178420554, compound

Product 1

HCID 10319217HCID 10319217, compound

Sources & evidence

ORD record
ord-71aa72e66306421584df3b0e645ce571
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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