Acetic Acid → Hydrochloric Acid

HRID 1550968Notes

Reaction equation

HRID 1550968 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[ClH:30].[F:1][c:2]1[c:3]([CH:4]=[N:5][OH:6])[cH:7][c:8](-[c:11]2[n:12][c:13]([O:28][CH3:29])[n:14][c:15]([NH:17][CH2:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[cH:16]2)[cH:9][cH:10]1.[Zn:41]>>[ClH:30].[F:1][c:2]1[c:3]([CH2:4][NH2:5])[cH:7][c:8](-[c:11]2[n:12][c:13]([O:28][CH3:29])[n:14][c:15]([NH:17][CH2:18][CH2:19][c:20]3[cH:21][cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[cH:16]2)[cH:9][cH:10]1

Participants

7

Reactant 5

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 23994ZincHCID 730190102-Fluoro-5-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzaldehyde oxime

Product 2

HCID 313Hydrochloric AcidHCID 533231526-[3-(aminomethyl)-4-fluorophenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

Sources & evidence

ORD record
ord-0d697508f5234608bcc5a0223af1110b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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