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Hydrochloric Acid → 6-{[2-({2-[1-(Cyclopropylmethyl)piperidin-4-yl]-7-(2,4-dichlorophenyl)[1,2,4]triazolo[1,5-c]-pyrimidin-5-yl}amino)ethyl]amino}pyridine-3-carbonitrile

HRID 1115391
Notes
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Reaction equation

HRID 1115391 reaction equation
[CH3:52][S:53]([CH3:54])=[O:55].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[Cl:1][c:2]1[n:3][c:4](-[c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:5][c:6]2[n:7]1[n:8][c:9]([CH:11]1[CH2:12][CH2:13][N:14]([CH2:17][CH:18]3[CH2:19][CH2:20]3)[CH2:15][CH2:16]1)[n:10]2.[ClH:29].[ClH:30].[NH2:31][CH2:32][CH2:33][NH:34][c:35]1[n:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]1>>[c:2]1([NH:31][CH2:32][CH2:33][NH:34][c:35]2[n:36][cH:37][c:38]([C:39]#[N:40])[cH:41][cH:42]2)[n:3][c:4](-[c:21]2[c:22]([Cl:28])[cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:5][c:6]2[n:7]1[n:8][c:9]([CH:11]1[CH2:12][CH2:13][N:14]([CH2:17][CH:18]3[CH2:19][CH2:20]3)[CH2:15][CH2:16]1)[n:10]2
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 679Dimethyl SulfoxideHCID 81531DiisopropylethylamineHCID 113694056-[(2-Aminoethyl)amino]pyridine-3-carbonitrileHCID 58305976HCID 58305976, compound

Product 1

HCID 67229781
6-{[2-({2-[1-(Cyclopropylmethyl)piperidin-4-yl]-7-(2,4-dichlorophenyl)[1,2,4]triazolo[1,5-c]-pyrimidin-5-yl}amino)ethyl]amino}pyridine-3-carbonitrile

Sources & evidence

ORD record
ord-f26a637d620542b2995d62e0181b1f75
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes