Acetate → Hydrochloric Acid

HRID 1562516Notes

Reaction equation

HRID 1562516 reaction equation
[C:72]([O-:73])(=[O:74])[CH3:75].[C:77]([O-:78])(=[O:79])[CH3:80].[CH2:37]([N:38]1[CH2:39][CH2:40][N:41]2[CH2:42][CH2:43][N:44]([CH2:45][CH:46]([CH3:47])[CH3:48])[P:49]1[N:50]([CH2:51][CH:52]([CH3:53])[CH3:54])[CH2:55][CH2:56]2)[CH:57]([CH3:58])[CH3:59].[CH3:25][S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([NH2:36])[c:33]([CH3:35])[n:34]1.[CH3:60][C:61]([CH3:62])([O-:63])[CH3:64].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]([O:10][CH:11]2[CH2:12][CH2:13][N:14]([c:17]3[n:18][c:19]([CH:22]([CH3:23])[CH3:24])[n:20][o:21]3)[CH2:15][CH2:16]2)[c:7]1[O:8][CH3:9].[Na+:65].[O:66]1[CH2:67][CH2:68][O:69][CH2:70][CH2:71]1.[Pd+2:76]>>[ClH:1].[c:2]1([NH:36][c:32]2[cH:31][cH:30][c:29]([S:26]([CH3:25])(=[O:27])=[O:28])[n:34][c:33]2[CH3:35])[n:3][cH:4][n:5][c:6]([O:10][CH:11]2[CH2:12][CH2:13][N:14]([c:17]3[n:18][c:19]([CH:22]([CH3:23])[CH3:24])[n:20][o:21]3)[CH2:15][CH2:16]2)[c:7]1[O:8][CH3:9]

Participants

10

Reactant 8

HCID 175Acetate2×HCID 923Sodium ionHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45712432,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo(3.3.3)undecaneHCID 45749132-Methylpropan-2-olateHCID 510505272-Methyl-6-(methylsulfonyl)pyridin-3-amineHCID 586715644-Chloro-5-methoxy-6-[[1-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-4-piperidinyl]oxy]pyrimidine

Product 2

HCID 313Hydrochloric AcidHCID 58671592HCID 58671592, compound

Sources & evidence

ORD record
ord-8f06f3cfadf04fa4a251e1664b40bcc5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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