Hydrochloric Acid → Ethyl [7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetate

HRID 197419Notes

Reaction equation

HRID 197419 reaction equation
[Br:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35].[C:36](=[O:37])([O-:38])[O-:39].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[Cl:2][c:3]1[cH:4][c:5](-[c:13]2[n:14][c:15](-[c:18]3[cH:19][c:20]4[c:21]([cH:27][cH:28]3)[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]4)[n:16][o:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12].[ClH:1].[Cs+:40].[Cs+:41].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[Cl:2][c:3]1[cH:4][c:5](-[c:13]2[n:14][c:15](-[c:18]3[cH:19][c:20]4[c:21]([cH:27][cH:28]3)[CH2:22][CH2:23][N:24]([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[CH2:25][CH2:26]4)[n:16][o:17]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([CH3:11])[CH3:12]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 7748Ethyl bromoacetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 441289045-(3-chloro-4-propan-2-yloxyphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazole

Product 1

HCID 59403517Ethyl [7-(5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl]acetate

Sources & evidence

ORD record
ord-a1fe8f7aee924cec8bc49659804a13a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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