Water → 4-[4-(5-Bromo-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]-6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine

HRID 112217Notes

Reaction equation

HRID 112217 reaction equation
[Br:27][c:28]1[n:29][cH:30][c:31]([Br:35])[cH:32][c:33]1[CH3:34].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:21]3[CH:22]([CH3:26])[CH2:23][CH2:24][CH2:25]3)[n:11][c:12]([N:14]3[CH:15]([CH3:20])[CH2:16][NH:17][CH2:18][CH2:19]3)[cH:13]2)[cH:6][cH:7]1.[OH2:45]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:21]3[CH:22]([CH3:26])[CH2:23][CH2:24][CH2:25]3)[n:11][c:12]([N:14]3[CH:15]([CH3:20])[CH2:16][N:17]([c:28]4[n:29][cH:30][c:31]([Br:35])[cH:32][c:33]4[CH3:34])[CH2:18][CH2:19]3)[cH:13]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 81531DiisopropylethylamineHCID 8176802,5-Dibromo-3-methylpyridineHCID 668388634-(4-Fluoro-phenyl)-6-(2-methyl-piperazin-1-yl)-2-(2-methyl-pyrrolidin-1-yl)-pyrimidine

Product 1

HCID 668387734-[4-(5-Bromo-3-methyl-2-pyridinyl)-2-methylpiperazin-1-yl]-6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidine

Sources & evidence

ORD record
ord-03b0ce8b830549619e02e5e51b8796c4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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