Hydrochloric Acid → 3-[2-[4-[[4-(2-ethoxyimino-3,3,3-trifluoropropyl)-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

HRID 1227429Notes

Reaction equation

HRID 1227429 reaction equation
[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:33][C:34]([C:35]([F:36])([F:37])[F:38])=[O:39])[c:7](=[O:32])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:26]5[n:27][o:28][c:29](=[O:31])[nH:30]5)[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:40]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[ClH:41].[ClH:52].[NH2:42][O:43][CH2:44][CH3:45].[OH2:53].[cH:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1>>[CH3:1][c:2]1[n:3][n:4]2[c:5]([n:6]([CH2:33][C:34]([C:35]([F:36])([F:37])[F:38])=[N:42][O:43][CH2:44][CH3:45])[c:7](=[O:32])[c:8]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[c:20]4[c:21](-[c:26]5[n:27][o:28][c:29](=[O:31])[nH:30]5)[cH:22][cH:23][cH:24][cH:25]4)[cH:18][cH:19]3)[c:9]2[CH2:10][CH2:11][CH3:12])[n:40]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 69357Hydroxylamine, O-ethyl-HCID 1360637522-methyl-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl-4-(3,3,3-trifluoro-2-oxopropyl) [1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

Product 1

HCID 1366266433-[2-[4-[[4-(2-ethoxyimino-3,3,3-trifluoropropyl)-2-methyl-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one

Sources & evidence

ORD record
ord-1ad516e5324e45ce93483b2a4226ba39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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