Sodium ion → 4-[(2,4-Dimethoxy-benzyl)-methyl-amino]-2-fluoro-N-thiazol-2-yl-benzenesulfonamide
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:17])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[s:13][cH:14][cH:15][n:16]2)[cH:6][cH:7]1.[CH2:66]1[O:67][CH2:68][CH2:69][O:70][CH2:71]1.[CH3:18][C:19]([CH3:20])([O-:21])[CH3:22].[CH3:24][C:25]1([CH3:26])[c:27]2[cH:28][cH:29][cH:30][c:31]([P:32]([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:45]2[O:46][c:47]2[c:48]1[cH:49][cH:50][cH:51][c:52]2[P:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH3:72][O:73][c:74]1[c:75]([CH2:76][NH:77][CH3:78])[cH:79][cH:80][c:81]([O:83][CH3:84])[cH:82]1.[Na+:23].[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:123]=[C:124]([CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1)[CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:85].[Pd:86]>>[c:2]1([N:77]([CH2:76][c:75]2[c:74]([O:73][CH3:72])[cH:82][c:81]([O:83][CH3:84])[cH:80][cH:79]2)[CH3:78])[cH:3][c:4]([F:17])[c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[s:13][cH:14][cH:15][n:16]2)[cH:6][cH:7]1Participants
9
Reactant 8
HCID 923Sodium ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 2416536[(2,4-Dimethoxyphenyl)methyl](methyl)amine
HCID 45749132-Methylpropan-2-olate
HCID 251383534-Bromo-2-fluoro-N-thiazol-2-yl-benzenesulfonamideProduct 1
Sources & evidence
- ORD record
- ord-5b6da5b01ae64cc488c40b84714c3b08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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