Hydrochloric Acid → HCID 44480114, compound

HRID 1114609Notes

Reaction equation

HRID 1114609 reaction equation
[CH3:53][S:54]([CH3:55])=[O:56].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[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].[ClH:30].[NH2:31][c:32]1[n:33][c:34]([NH:40][CH2:41][CH2:42][NH2:43])[cH:35][cH:36][c:37]1[C:38]#[N:39]>>[c:3]1([NH:43][CH2:42][CH2:41][NH:40][c:34]2[n:33][c:32]([NH2:31])[c:37]([C:38]#[N:39])[cH:36][cH:35]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 Acid3×HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 57911768HCID 57911768, 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 44480114HCID 44480114, compound

Sources & evidence

ORD record
ord-91abe3dee4a34f97b7a71516f68b1356
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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