Sodium ion → 4-Methyl-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)-N-(1,3-thiazol-2-yl)benzamide

HRID 679667Notes

Reaction equation

HRID 679667 reaction equation
[Br:31][c:32]1[cH:33][c:34]2[c:35]([c:36]([CH:39]3[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]3)[n:37][o:38]2)[cH:45][cH:46]1.[CH3:124][O:125][CH2:126][CH2:127][O:128][CH3:129].[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[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.[s:1]1[c:2]([NH:6][C:7]([c:8]2[cH:9][c:10]([B:15]3[O:16][C:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23]3)[c:11]([CH3:14])[cH:12][cH:13]2)=[O:24])[n:3][cH:4][cH:5]1>>[s:1]1[c:2]([NH:6][C:7]([c:8]2[cH:9][c:10](-[c:32]3[cH:33][c:34]4[c:35]([c:36]([CH:39]5[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]5)[n:37][o:38]4)[cH:45][cH:46]3)[c:11]([CH3:14])[cH:12][cH:13]2)=[O:24])[n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 219145174-Methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-N-(thiazol-2-yl)-benzamideHCID 541219916-Bromo-3-piperidin-4-yl-1,2-benzisoxazoleHCID 178420554HCID 178420554, compound

Product 1

HCID 99794304-Methyl-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)-N-(1,3-thiazol-2-yl)benzamide

Sources & evidence

ORD record
ord-a1bd8ceef0df4c4687aa569279ef9904
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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