Hydrochloric Acid → HCID 136063685, compound

HRID 676185Notes

Reaction equation

HRID 676185 reaction equation
[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[ClH:54].[NH2:40][O:41][CH:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([n:8]2[c:9]3[n:10]([c:11]([CH2:34][CH2:35][CH3:36])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23](-[c:28]6[n:29][o:30][c:31](=[O:33])[nH:32]6)[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:37][cH:38][n:39]3)[CH2:6][CH2:7]1.[OH2:55].[cH:48]1[cH:49][cH:50][n:51][cH:52][cH:53]1>>[C:2]1(=[N:40][O:41][CH:42]2[CH2:43][CH2:44][O:45][CH2:46][CH2:47]2)[CH2:3][CH2:4][CH:5]([n:8]2[c:9]3[n:10]([c:11]([CH2:34][CH2:35][CH3:36])[c:12]([CH2:15][c:16]4[cH:17][cH:18][c:19](-[c:22]5[c:23](-[c:28]6[n:29][o:30][c:31](=[O:33])[nH:32]6)[cH:24][cH:25][cH:26][cH:27]5)[cH:20][cH:21]4)[c:13]2=[O:14])[n:37][cH:38][n:39]3)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 12968530O-(oxan-4-yl)hydroxylamineHCID 1360639444-(4-oxocyclohexyl)-6-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

Product 1

HCID 136063685HCID 136063685, compound

Sources & evidence

ORD record
ord-2b1dd54c5ec649308774e7a11c0fe9d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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