Hydrochloric Acid → HCID 136489377, compound

HRID 136661Notes

Reaction equation

HRID 136661 reaction equation
[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[ClH:44].[ClH:54].[NH2:45][O:46][CH3:47].[O:1]=[c:2]1[nH:3][c:4](-[c:7]2[c:8](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][c:20]4[c:21](=[O:43])[n:22]([CH:32]5[CH2:33][CH2:34][CH:35]([O:38][CH2:39][C:40]([CH3:41])=[O:42])[CH2:36][CH2:37]5)[c:23]5[n:24]([c:25]4[CH2:26][CH2:27][CH3:28])[n:29][cH:30][n:31]5)[cH:17][cH:18]3)[cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1.[OH2:55].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[O:1]=[c:2]1[nH:3][c:4](-[c:7]2[c:8](-[c:13]3[cH:14][cH:15][c:16]([CH2:19][c:20]4[c:21](=[O:43])[n:22]([CH:32]5[CH2:33][CH2:34][CH:35]([O:38][CH2:39][C:40]([CH3:41])=[N:45][O:46][CH3:47])[CH2:36][CH2:37]5)[c:23]5[n:24]([c:25]4[CH2:26][CH2:27][CH3:28])[n:29][cH:30][n:31]5)[cH:17][cH:18]3)[cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 1049PyridineHCID 4113O-MethylhydroxylamineHCID 8857Ethyl AcetateHCID 1360638906-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-4-[trans-4-(2-oxopropoxy)cyclohexyl]-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

Product 1

HCID 136489377HCID 136489377, compound

Sources & evidence

ORD record
ord-dcac5aa320f94c52b4c54bee866264ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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