Hydrochloric Acid → 4-(3-Chloro-4-fluoro-phenyl)-6-piperazin-1-yl-2-(4-propyl-piperazin-1-yl)-pyrimidine

HRID 1148684Notes

Reaction equation

HRID 1148684 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([N:28]3[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][CH3:36])[CH2:32][CH2:33]3)[n:17][c:18](-[c:20]3[cH:21][c:22]([Cl:27])[c:23]([F:26])[cH:24][cH:25]3)[cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[ClH:37].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([N:28]3[CH2:29][CH2:30][N:31]([CH2:34][CH2:35][CH3:36])[CH2:32][CH2:33]3)[n:17][c:18](-[c:20]3[cH:21][c:22]([Cl:27])[c:23]([F:26])[cH:24][cH:25]3)[cH:19]2)[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 591683134-[6-(3-Chloro-4-fluoro-phenyl)-2-(4-propyl-piperazin-1-yl)-pyrimidin-4-yl]-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 591682494-(3-Chloro-4-fluoro-phenyl)-6-piperazin-1-yl-2-(4-propyl-piperazin-1-yl)-pyrimidine

Sources & evidence

ORD record
ord-6f25c2cf56214292818ba1e5d4742eb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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