Ethanol → 2-{1-[4-(2-Amino-ethyl)-2-p-tolyl-imidazol-1-yl]-2-methyl-propyl}-3-benzyl-7-chloro-3H-quinazolin-4-one

HRID 1224285Notes

Reaction equation

HRID 1224285 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:20]([CH:21]([CH3:22])[CH3:23])[n:24]2[c:25](-[c:42]3[cH:43][cH:44][c:45]([CH3:48])[cH:46][cH:47]3)[n:26][c:27]([CH2:29][CH2:30][N:31]3[C:32](=[O:33])[c:34]4[c:35]([cH:36][cH:37][cH:38][cH:39]4)[C:40]3=[O:41])[cH:28]2)[n:10][c:11]2[cH:12][c:13]([Cl:19])[cH:14][cH:15][c:16]2[c:17]1=[O:18].[CH3:51][CH2:52][OH:53].[NH2:49][NH2:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH:20]([CH:21]([CH3:22])[CH3:23])[n:24]2[c:25](-[c:42]3[cH:43][cH:44][c:45]([CH3:48])[cH:46][cH:47]3)[n:26][c:27]([CH2:29][CH2:30][NH2:31])[cH:28]2)[n:10][c:11]2[cH:12][c:13]([Cl:19])[cH:14][cH:15][c:16]2[c:17]1=[O:18]

Participants

4

Reactant 3

HCID 702EthanolHCID 9321HydrazineHCID 210969892-(2-{1-[1-(3-Benzyl-7-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-2-methyl-propyl]-2-p-tolyl-1H-imidazol-4-yl}-ethyl)-isoindole-1,3-dione

Product 1

HCID 210969872-{1-[4-(2-Amino-ethyl)-2-p-tolyl-imidazol-1-yl]-2-methyl-propyl}-3-benzyl-7-chloro-3H-quinazolin-4-one

Sources & evidence

ORD record
ord-0d47adf2546d47c49e10e4b52dfb2fb6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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