Hydrochloric Acid → 6-(1-(4-chlorobenzyl)-1H-pyrazol-4-ylamino)-N-(thiazol-2-yl)pyridine-3-sulfonamide
Reaction equation
[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.[CH3:75][N:76]([CH3:77])[C:78](=[O:79])[CH3:80].[CH3:81][C:82]([CH3:83])([O-:84])[CH3:85].[Cl:61][c:62]1[cH:63][cH:64][c:65]([CH2:66][n:67]2[n:68][cH:69][c:70]([NH2:72])[cH:71]2)[cH:73][cH:74]1.[ClH:59].[ClH:60].[Na+:86].[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:125]=[C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)[CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:87].[Pd:88].[s:1]1[c:2]([NH:6][S:7](=[O:8])(=[O:9])[c:10]2[cH:11][n:12][c:13]([Cl:16])[cH:14][cH:15]2)[n:3][cH:4][cH:5]1>>[s:1]1[c:2]([NH:6][S:7](=[O:8])(=[O:9])[c:10]2[cH:11][n:12][c:13]([NH:72][c:70]3[cH:69][n:68][n:67]([CH2:66][c:65]4[cH:64][cH:63][c:62]([Cl:61])[cH:74][cH:73]4)[cH:71]3)[cH:14][cH:15]2)[n:3][cH:4][cH:5]1Participants
10
Reactant 9
HCID 313Hydrochloric Acid2×
HCID 923Sodium ion
HCID 23938Palladium2×
HCID 31374Dimethylacetamide
HCID 95417Dibenzylidene acetone3×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 6736891-[(4-Chlorophenyl)methyl]-1h-pyrazol-4-amine
HCID 9431916-chloro-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
HCID 45749132-Methylpropan-2-olateProduct 1
Sources & evidence
- ORD record
- ord-c56785de936b488db98cd2a99dc75919
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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