Hydrochloric Acid → HCID 59640701, compound

HRID 1220234Notes

Reaction equation

HRID 1220234 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([F:10])[cH:9]1.[CH3:11][S-:12].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[ClH:23].[Na+:13].[O:33]=[C:34]([CH:35]=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[Pd:31].[Pd:32]>>[c:2]1([S:12][CH3:11])[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([F:10])[cH:9]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 1140TolueneHCID 23938Palladium2×HCID 81531DiisopropylethylamineHCID 95417Dibenzylidene acetone3×HCID 519392MercaptomethanideHCID 27833303-Bromo-5-fluorobenzonitrile

Product 1

HCID 59640701HCID 59640701, compound

Sources & evidence

ORD record
ord-720f19766a7c40b79f714326bdfeaf23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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