Hydrochloric Acid → HCID 136592082, compound

HRID 1559696Notes

Reaction equation

HRID 1559696 reaction equation
[CH3:1][C:2]([C:3]([CH2:4][n:5]1[c:6]2[n:7]([c:8]([CH2:31][CH2:32][CH3:33])[c:9]([CH2:12][c:13]3[cH:14][cH:15][c:16](-[c:19]4[c:20](-[c:25]5[n:26][o:27][c:28](=[O:30])[nH:29]5)[cH:21][cH:22][cH:23][cH:24]4)[cH:17][cH:18]3)[c:10]1=[O:11])[n:34][c:35]([CH3:37])[n:36]2)=[O:38])([CH3:39])[CH3:40].[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]([C:3]([CH2:4][n:5]1[c:6]2[n:7]([c:8]([CH2:31][CH2:32][CH3:33])[c:9]([CH2:12][c:13]3[cH:14][cH:15][c:16](-[c:19]4[c:20](-[c:25]5[n:26][o:27][c:28](=[O:30])[nH:29]5)[cH:21][cH:22][cH:23][cH:24]4)[cH:17][cH:18]3)[c:10]1=[O:11])[n:34][c:35]([CH3:37])[n:36]2)=[N:42][O:43][CH2:44][CH3:45])([CH3:39])[CH3:40]

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 1049PyridineHCID 8857Ethyl AcetateHCID 69357Hydroxylamine, O-ethyl-HCID 1360637264-(3,3-dimethyl-2-oxobutyl)-2-methyl-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 136592082HCID 136592082, compound

Sources & evidence

ORD record
ord-3b5fd368f8ac4050b71297f41f94d202
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…