Hydrochloric Acid → HCID 67230229, compound

HRID 96621Notes

Reaction equation

HRID 96621 reaction equation
[CH3:51][S:52]([CH3:53])=[O:54].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:2][c:3]1[n:4][c:5](-[c:19]2[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]1)[n:11]2.[ClH:1].[ClH:27].[ClH:28].[NH2:29][c:30]1[n:31][c:32]([NH:38][CH2:39][CH2:40][NH2:41])[cH:33][cH:34][c:35]1[C:36]#[N:37]>>[c:3]1([NH:41][CH2:40][CH2:39][NH:38][c:32]2[n:31][c:30]([NH2:29])[c:35]([C:36]#[N:37])[cH:34][cH:33]2)[n:4][c:5](-[c:19]2[c:20]([Cl:26])[cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]1)[n:11]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid3×HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 57911768HCID 57911768, compoundHCID 583059825-Chloro-7-(2,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidine

Product 1

HCID 67230229HCID 67230229, compound

Sources & evidence

ORD record
ord-5852bd1ced6a447d9a680b5e91689572
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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