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Sodium Ion → 4-(1-tert-butyl-3-(4-chlorobenzyl)-1H-pyrazol-5-ylamino)-N-(thiazol-2-yl)benzenesulfonamide

HRID 1144601
Notes
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Reaction equation

HRID 1144601 reaction equation
[C:59]([CH3:60])([CH3:61])([CH3:62])[n:63]1[n:64][c:65]([CH2:69][c:70]2[cH:71][cH:72][c:73]([Cl:76])[cH:74][cH:75]2)[cH:66][c:67]1[NH2:68].[CH2:83]1[O:84][CH2:85][CH2:86][O:87][CH2:88]1.[CH3:17][C:18]1([CH3:19])[c:20]2[cH:21][cH:22][cH:23][c:24]([P:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:38]2[O:39][c:40]2[c:41]1[cH:42][cH:43][cH:44][c:45]2[P:46]([c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:77][C:78]([CH3:79])([O-:80])[CH3:81].[I:1][c:2]1[cH:3][cH:4][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.[Na+:82].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:127]=[C:128]([CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1)[CH:137]=[CH:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:89].[Pd:90]>>[c:2]1([NH:68][c:67]2[n:63]([C:59]([CH3:60])([CH3:61])[CH3:62])[n:64][c:65]([CH2:69][c:70]3[cH:71][cH:72][c:73]([Cl:76])[cH:74][cH:75]3)[cH:66]2)[cH:3][cH:4][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
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 923Sodium IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 10193184-Iodo-N-(thiazol-2-yl)benzenesulfonamide
HCID 4574913
2-Methylpropan-2-olate
HCID 575511731-Tert-butyl-3-(4-chlorobenzyl)-1H-pyrazol-5-amine

Product 1

HCID 252041014-(1-tert-butyl-3-(4-chlorobenzyl)-1H-pyrazol-5-ylamino)-N-(thiazol-2-yl)benzenesulfonamide

Sources & evidence

ORD record
ord-0d267bb270324eed98cca63091ff10e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes