Sodium ion → 2-Nitro-5-[4-(1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-1,2,3-triazol-4-yl)phenyl]thiophene-3-carboxamide
Reaction equation
[C:55](=[O:56])([O-:57])[O-:58].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:22][C:23]1([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28][B:29]([c:30]2[cH:31][cH:32][c:33](-[c:36]3[n:37][n:38][n:39]([CH2:41][O:42][CH2:43][CH2:44][Si:45]([CH3:46])([CH3:47])[CH3:48])[cH:40]3)[cH:34][cH:35]2)[O:49]1.[Cl:139][CH2:140][Cl:141].[Na+:59].[Na+:60].[OH2:61].[OH:1][C:2]([c:3]1[n:4][cH:5][c:6](-[c:11]2[cH:12][c:13]([C:19](=[O:20])[NH2:21])[c:14]([N+:16](=[O:17])[O-:18])[s:15]2)[cH:7][cH:8]1)([CH3:9])[CH3:10].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([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)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[c:11]1(-[c:30]2[cH:31][cH:32][c:33](-[c:36]3[n:37][n:38][n:39]([CH2:41][O:42][CH2:43][CH2:44][Si:45]([CH3:46])([CH3:47])[CH3:48])[cH:40]3)[cH:34][cH:35]2)[cH:12][c:13]([C:19](=[O:20])[NH2:21])[c:14]([N+:16](=[O:17])[O-:18])[s:15]1Participants
9
Reactant 8
HCID 923Sodium ion2×
HCID 962Water
HCID 6344Dichloromethane
HCID 8028Tetrahydrofuran
HCID 19660Carbonate Ion
HCID 595258015-[6-(1-Hydroxy-1-methylethyl)pyridin-3-yl]-2-nitrothiophene-3-carboxamide
HCID 595263874-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-1,2,3-triazole
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-b1e81b987b054c59a8ba4c5ab0b97bff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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