Hydrochloric Acid → Hydrochloric Acid

HRID 2139612Notes

Reaction equation

HRID 2139612 reaction equation
[C:78](=[O:79])([OH:80])[O-:81].[CH3:43][c:44]1[n:45][nH:46][c:47]([NH2:49])[cH:48]1.[Cl:51][c:52]1[cH:53][c:54]([CH2:71][N:72]2[CH2:73][CH2:74][O:75][CH2:76][CH2:77]2)[c:55]2[n:56]([n:57]1)[c:58]([CH2:62][c:63]1[c:64]([F:70])[cH:65][c:66]([Cl:69])[cH:67][cH:68]1)[c:59]([CH3:61])[n:60]2.[ClH:50].[K+:82].[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[Pd:88]([Cl:89])[Cl:90].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[c:10]3[c:34]([cH:35][cH:36][cH:37]2)[C:31]([CH3:32])([CH3:33])[c:13]2[c:12]([c:17]([P:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:16][cH:15][cH:14]2)[O:11]3)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH3:43][c:44]1[nH:45][n:46][c:47]([NH:49][c:52]2[cH:53][c:54]([CH2:71][N:72]3[CH2:73][CH2:74][O:75][CH2:76][CH2:77]3)[c:55]3[n:56]([n:57]2)[c:58]([CH2:62][c:63]2[c:64]([F:70])[cH:65][c:66]([Cl:69])[cH:67][cH:68]2)[c:59]([CH3:61])[n:60]3)[cH:48]1.[ClH:50].[ClH:51]

Participants

10

Reactant 8

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 813Potassium CationHCID 6228DimethylformamideHCID 24290Palladium ChlorideHCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 715739154-[[6-Chloro-3-(4-chloro-2-fluorobenzyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]methyl]morpholineHCID 178418690HCID 178418690, compound

Product 2

HCID 313Hydrochloric Acid2×HCID 46213929Gandotinib

Sources & evidence

ORD record
ord-a6dd8df60fbc427bad340f30babaa70b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…