2-Tert-butyl-4-isopropyl-6-piperazin-1-ylpyrimidine → 1-{4-[4-(2-tert-Butyl-6-isopropylpyrimidin-4-yl) piperazin-1-yl]butyl}-3,4-dihydro-1H-1-benzazepine-2,5-dione

HRID 1558240Notes

Reaction equation

HRID 1558240 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([N:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:8][c:9]([CH:11]([CH3:12])[CH3:13])[n:10]1.[Cl:20][CH2:21][CH2:22][CH2:23][CH2:24][N:25]1[C:26](=[O:37])[CH2:27][CH2:28][C:29](=[O:36])[c:30]2[c:31]1[cH:32][cH:33][cH:34][cH:35]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7]([N:14]2[CH2:15][CH2:16][N:17]([CH2:21][CH2:22][CH2:23][CH2:24][N:25]3[C:26](=[O:37])[CH2:27][CH2:28][C:29](=[O:36])[c:30]4[c:31]3[cH:32][cH:33][cH:34][cH:35]4)[CH2:18][CH2:19]2)[cH:8][c:9]([CH:11]([CH3:12])[CH3:13])[n:10]1

Participants

3

Reactant 2

HCID 672432152-Tert-butyl-4-isopropyl-6-piperazin-1-ylpyrimidineHCID 685828961-(4-chlorobutyl)-3,4-dihydro-1H-benzo[b]azepine-2,5-dione

Product 1

HCID 685839211-{4-[4-(2-tert-Butyl-6-isopropylpyrimidin-4-yl) piperazin-1-yl]butyl}-3,4-dihydro-1H-1-benzazepine-2,5-dione

Sources & evidence

ORD record
ord-1d09746c74c040cc9d1b57993b47f914
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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