Ethyl Acetate → 2-{4-[6-(3-Chloro-4-fluorophenyl)-2-(2-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-5-bromopyrimidine

HRID 304906Notes

Reaction equation

HRID 304906 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([Cl:8])[n:6][cH:7]1.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:9][c:10]1[cH:11][c:12](-[c:17]2[n:18][c:19]([N:29]3[CH:30]([CH3:34])[CH2:31][CH2:32][CH2:33]3)[n:20][c:21]([N:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[cH:22]2)[cH:13][cH:14][c:15]1[F:16]>>[Br:1][c:2]1[cH:3][n:4][c:5]([N:26]2[CH2:25][CH2:24][N:23]([c:21]3[n:20][c:19]([N:29]4[CH:30]([CH3:34])[CH2:31][CH2:32][CH2:33]4)[n:18][c:17](-[c:12]4[cH:11][c:10]([Cl:9])[c:15]([F:16])[cH:14][cH:13]4)[cH:22]3)[CH2:28][CH2:27]2)[n:6][cH:7]1

Participants

5

Reactant 4

HCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 6066655-Bromo-2-chloropyrimidineHCID 57761745HCID 57761745, compound

Product 1

HCID 577617682-{4-[6-(3-Chloro-4-fluorophenyl)-2-(2-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-5-bromopyrimidine

Sources & evidence

ORD record
ord-8b8ae9bc95f742c9977b3f75e7961abb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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