Potassium Cation → HCID 59304991, compound

HRID 1558205Notes

Reaction equation

HRID 1558205 reaction equation
[C:67](=[O:68])([O-:69])[O-:70].[CH3:73][C:74]([OH:75])([CH3:76])[CH3:77].[CH:33]1([P:34]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][c:46]2-[c:47]2[c:48]([CH:49]([CH3:50])[CH3:51])[cH:52][c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][c:58]2[CH:59]([CH3:60])[CH3:61])[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[cH:9][c:10]2[F:11].[F:22][c:23]1[c:24]([NH2:25])[cH:26][cH:27][c:28]([N+:30](=[O:31])[O-:32])[cH:29]1.[K+:71].[K+:72].[O:116]=[C:117]([CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1)[CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:78].[Pd:79]>>[c:2]1([NH:25][c:24]2[c:23]([F:22])[cH:29][c:28]([N+:30](=[O:31])[O-:32])[cH:27][cH:26]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[n:8]([S:12](=[O:13])(=[O:14])[c:15]1[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]1)[cH:9][c:10]2[F:11]

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6386tert-ButanolHCID 19660Carbonate IonHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 1012542-Fluoro-4-nitroanilineHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 497590784-Chloro-3-fluoro-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrolo[2,3-b]pyridine

Product 1

HCID 59304991HCID 59304991, compound

Sources & evidence

ORD record
ord-9c891d7653ba4eef9e8b977bb37a1221
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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