Acetate → Hydrochloric Acid

HRID 1118906Notes

Reaction equation

HRID 1118906 reaction equation
[C:31]([CH3:32])(=[O:33])[N:34]1[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]1.[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[ClH:1].[Na+:45].[Pd+2:50].[s:2]1[c:3]2[c:4]([cH:5][cH:6]1)[c:7]([N:11]1[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH2:19][O:20][c:21]3[c:22]([O:29][CH3:30])[cH:23][c:24]([Br:28])[cH:25][c:26]3[CH3:27])[CH2:15][CH2:16]1)[cH:8][cH:9][cH:10]2>>[ClH:1].[s:2]1[c:3]2[c:4]([cH:5][cH:6]1)[c:7]([N:11]1[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH2:19][O:20][c:21]3[c:22]([O:29][CH3:30])[cH:23][c:24]([N:37]4[CH2:36][CH2:35][N:34]([C:31]([CH3:32])=[O:33])[CH2:39][CH2:38]4)[cH:25][c:26]3[CH3:27])[CH2:15][CH2:16]1)[cH:8][cH:9][cH:10]2

Participants

10

Reactant 8

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 1140TolueneHCID 837951-AcetylpiperazineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olateHCID 66647362HCID 66647362, compound

Product 2

HCID 313Hydrochloric AcidHCID 44477101HCID 44477101, compound

Sources & evidence

ORD record
ord-4aa7d8b144af43269d2d84fa8eb7a761
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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