Isopropanol → 1-methyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]-2,4(1H,3H)-pyrimidinedione

Reaction equation

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

Participants

Reactant 4

HCID 3776Isopropanol

HCID 8471Triethylamine

HCID 27603511-(3-Phenoxypropyl)piperazine

HCID 3015589Uracil, 6-chloro-1-methyl-

Product 1

HCID 190118701-methyl-6-[4-(3-phenoxypropyl)piperazin-1-yl]-2,4(1H,3H)-pyrimidinedione

Sources & evidence

ORD record: ord-8f16bc7f28c24700ba1ec9419426937e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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