Hydrochloric Acid → HCID 86644042, compound

HRID 681412Notes

Reaction equation

HRID 681412 reaction equation
[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:57][S:58](=[O:59])[CH3:60].[ClH:56].[OH:1][CH2:2][CH2:3][O:4][CH:5]1[CH2:6][CH2:7][CH:8]([n:11]2[c:12]3[n:13]([c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:36][cH:37][n:38]3)[CH2:9][CH2:10]1.[S:52](=[O:53])(=[O:54])=[O:55].[n:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[O:1]=[CH:2][CH2:3][O:4][CH:5]1[CH2:6][CH2:7][CH:8]([n:11]2[c:12]3[n:13]([c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:36][cH:37][n:38]3)[CH2:9][CH2:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 1049PyridineHCID 8471TriethylamineHCID 24682Sulfur trioxideHCID 670089034'-({4-[4-(2-Hydroxyethoxy)cyclohexyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile

Product 1

HCID 86644042HCID 86644042, compound

Sources & evidence

ORD record
ord-d19ea717e57f4429a7530bf2ee366557
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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