Bicarbonate Ion → 2-{[4-(2-{[5-(4-Fluorophenyl)pyridin-2-yl]oxy}ethyl)-1,3-thiazol-2-yl]thio}-2-methylpropionic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][O:18][c:19]2[n:20][cH:21][c:22]([Br:25])[cH:23][cH:24]2)[n:15]1)=[O:26].[C:44](=[O:45])([O-:46])[OH:47].[F:27][c:28]1[cH:29][cH:30][c:31]([O:34][B:35]([OH:36])[OH:37])[cH:32][cH:33]1.[Na+:48].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:38].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[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)[cH:124][cH:125]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([C:7]([CH3:8])([CH3:9])[S:10][c:11]1[s:12][cH:13][c:14]([CH2:16][CH2:17][O:18][c:19]2[n:20][cH:21][c:22](-[c:31]3[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]3)[cH:23][cH:24]2)[n:15]1)=[O:26]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-c36bf693a03f4beeb88fadc6718ce914
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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