1-Butanol → 3-ethyl-1-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2,4(1H,3H)-pyrimidinedione

HRID 117256Notes

Reaction equation

HRID 117256 reaction equation
[C:33](=[O:34])([O-:35])[OH:36].[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42].[Cl:1][CH2:2][CH2:3][N:4]([c:5]1[cH:6][cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]1)[CH2:13][CH2:14][Cl:15].[NH2:16][c:17]1[cH:18][cH:19][c:20](-[n:23]2[c:24](=[O:32])[n:25]([CH2:30][CH3:31])[c:26](=[O:29])[cH:27][cH:28]2)[cH:21][cH:22]1.[Na+:37].[OH2:43]>>[CH2:2]1[CH2:3][N:4]([c:5]2[cH:6][cH:7][c:8]([O:11][CH3:12])[cH:9][cH:10]2)[CH2:13][CH2:14][N:16]1[c:17]1[cH:18][cH:19][c:20](-[n:23]2[c:24](=[O:32])[n:25]([CH2:30][CH3:31])[c:26](=[O:29])[cH:27][cH:28]2)[cH:21][cH:22]1

Participants

7

Reactant 6

HCID 2631-ButanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 15064N,N-Bis(2-chloroethyl)-4-methoxybenzenamineHCID 151254801-(4-aminophenyl)-3-ethyl-2,4(1H,3H)-pyrimidinedione

Product 1

HCID 151254813-ethyl-1-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2,4(1H,3H)-pyrimidinedione

Sources & evidence

ORD record
ord-10d3d873ca1e45b995102edd38be6088
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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