Ethanol → 2-{1-[4-(2-Amino-ethyl)-2-p-tolyl-imidazol-1-yl]-2-methyl-propyl}-3-benzyl-5,6-dimethyl-3H-pyrimidin-4-one

HRID 2142036Notes

Reaction equation

HRID 2142036 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:17]([CH:18]([CH3:19])[CH3:20])[n:21]2[c:22](-[c:39]3[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]3)[n:23][c:24]([CH2:26][CH2:27][N:28]3[C:29](=[O:30])[c:31]4[c:32]([cH:33][cH:34][cH:35][cH:36]4)[C:37]3=[O:38])[cH:25]2)[n:10][c:11]([CH3:16])[c:12]([CH3:15])[c:13]1=[O:14].[CH3:49][CH2:50][OH:51].[NH2:47][NH2:48].[OH2:46]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:17]([CH:18]([CH3:19])[CH3:20])[n:21]2[c:22](-[c:39]3[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]3)[n:23][c:24]([CH2:26][CH2:27][NH2:28])[cH:25]2)[n:10][c:11]([CH3:16])[c:12]([CH3:15])[c:13]1=[O:14]

Participants

5

Reactant 4

HCID 702EthanolHCID 962WaterHCID 9321HydrazineHCID 210769262-(2-{1-[1-(1-Benzyl-4,5-dimethyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-2-methyl-propyl]-2-p-tolyl-1H-imidazol-4-yl}-ethyl)-isoindole-1,3-dione

Product 1

HCID 103899522-{1-[4-(2-Amino-ethyl)-2-p-tolyl-imidazol-1-yl]-2-methyl-propyl}-3-benzyl-5,6-dimethyl-3H-pyrimidin-4-one

Sources & evidence

ORD record
ord-e263928974ca4749a93fbc56c1e29ed6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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