Acetate → Hydrochloric Acid

HRID 2348736Notes

Reaction equation

HRID 2348736 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]([Cl:15])[n:11][c:12]([CH3:14])[cH:13]1.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[ClH:16].[ClH:17].[ClH:62].[K+:35].[K+:36].[NH2:18][CH:19]1[CH2:20][CH2:21][N:22]([c:25]2[cH:26][cH:27][n:28][cH:29][cH:30]2)[CH2:23][CH2:24]1.[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[O:63]1[CH2:64][CH2:65][O:66][CH2:67][CH2:68]1.[Pd+2:69]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[n:9][c:10]([NH:18][CH:19]2[CH2:20][CH2:21][N:22]([c:25]3[cH:26][cH:27][n:28][cH:29][cH:30]3)[CH2:23][CH2:24]2)[n:11][c:12]([CH3:14])[cH:13]1.[ClH:15].[ClH:16]

Participants

11

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric Acid3×HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342162-(Dicyclohexylphosphino)biphenylHCID 189186081-(Pyridin-4-yl)piperidin-4-amineHCID 866336184-Benzyl-2-chloro-6-methyl-pyrimidine

Product 2

HCID 313Hydrochloric Acid2×HCID 533533354-benzyl-6-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)pyrimidin-2-amine

Sources & evidence

ORD record
ord-13a291d83fc84471a52cbdce4eeb9394
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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