2-Tert-butyl-4-methyl-6-piperazin-1-ylpyrimidine → Hydrochloric Acid

HRID 169710Notes

Reaction equation

HRID 169710 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:8][c:9]([CH3:11])[n:10]1.[Cl:18][CH2:19][CH2:20][CH2:21][CH2:22][N:23]1[C:24](=[O:35])[CH2:25][CH2:26][C:27](=[O:34])[c:28]2[c:29]1[cH:30][cH:31][cH:32][cH:33]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([N:12]2[CH2:13][CH2:14][N:15]([CH2:19][CH2:20][CH2:21][CH2:22][N:23]3[C:24](=[O:35])[CH2:25][CH2:26][C:27](=[O:34])[c:28]4[c:29]3[cH:30][cH:31][cH:32][cH:33]4)[CH2:16][CH2:17]2)[cH:8][c:9]([CH3:11])[n:10]1.[ClH:18]

Participants

4

Reactant 2

HCID 223498732-Tert-butyl-4-methyl-6-piperazin-1-ylpyrimidineHCID 685828961-(4-chlorobutyl)-3,4-dihydro-1H-benzo[b]azepine-2,5-dione

Product 2

HCID 313Hydrochloric AcidHCID 685848241-[4-[4-(2-Tert-butyl-6-methylpyrimidin-4-yl)piperazin-1-yl]butyl]-3,4-dihydro-1-benzazepine-2,5-dione

Sources & evidence

ORD record
ord-c801c77872d1444bae0b1148dbab58e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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