Hydrochloric Acid → HCID 44480113, compound

HRID 2327651Notes

Reaction equation

HRID 2327651 reaction equation
[CH3:56][S:57]([CH3:58])=[O:59].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:2][c:3]1[n:4][c:5](-[c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[n:11]2.[ClH:1].[ClH:29].[NH2:30][c:31]1[n:32][c:33]([NH:43][CH2:44][CH2:45][NH2:46])[cH:34][cH:35][c:36]1[C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[c:3]1([NH:46][CH2:45][CH2:44][NH:43][c:33]2[n:32][c:31]([NH2:30])[c:36]([C:37]([C:38]([F:39])([F:40])[F:41])=[O:42])[cH:35][cH:34]2)[n:4][c:5](-[c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:6][c:7]2[n:8]1[n:9][c:10]([CH:12]1[CH2:13][CH2:14][N:15]([CH:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[n:11]2

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 57911743HCID 57911743, compoundHCID 583059775-Chloro-7-(2,4-dichlorophenyl)-2-[1-(propan-2-yl)piperidin-4-yl][1,2,4]triazolo[1,5-c]pyrimidine

Product 1

HCID 44480113HCID 44480113, compound

Sources & evidence

ORD record
ord-11944c39b07e461083c876722741aea2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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