Hydrochloric Acid → HCID 44480889, compound

HRID 2162607Notes

Reaction equation

HRID 2162607 reaction equation
[CH3:54][S:55]([CH3:56])=[O:57].[CH:45]([N:46]([CH2:47][CH3:48])[CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53].[Cl:2][c:3]1[n:4][c:5](-[c:21]2[c:22]([Cl:28])[cH:23][c:24]([F: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].[NH:30]1[CH2:31][CH:32]([NH:36][c:37]2[cH:38][cH:39][c:40]([C:43]#[N:44])[cH:41][n:42]2)[CH2:33][CH2:34][CH2:35]1>>[c:3]1([N:30]2[CH2:31][CH:32]([NH:36][c:37]3[cH:38][cH:39][c:40]([C:43]#[N:44])[cH:41][n:42]3)[CH2:33][CH2:34][CH2:35]2)[n:4][c:5](-[c:21]2[c:22]([Cl:28])[cH:23][c:24]([F: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 579117696-[(Piperidin-3-yl)amino]pyridine-3-carbonitrileHCID 583060115-Chloro-7-(2-chloro-4-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine

Product 1

HCID 44480889HCID 44480889, compound

Sources & evidence

ORD record
ord-f4505a808bfc4408aee57e0526aa6aad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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