Sodium ion → [3-Methyl-6-[1,2,4]triazol-1-yl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

HRID 664674

Reaction equation

HRID 664674 reaction equation
[CH3:39][N:40]1[CH2:41][CH2:42][CH2:43][C:44]1=[O:45].[Cl:1][c:2]1[c:3](-[c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]2)[cH:4][c:5]([CH3:21])[c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:14][CH2:15]2)[n:7]1.[H-:37].[Na+:38].[nH:32]1[n:33][cH:34][n:35][cH:36]1>>[c:2]1(-[n:32]2[n:33][cH:34][n:35][cH:36]2)[c:3](-[c:22]2[cH:23][c:24]([C:28]([F:29])([F:30])[F:31])[cH:25][cH:26][cH:27]2)[cH:4][c:5]([CH3:21])[c:6]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][CH:13]([N:16]3[CH2:17][CH2:18][CH2:19][CH2:20]3)[CH2:14][CH2:15]2)[n:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 92571H-1,2,4-TriazoleHCID 13387N-methyl-2-pyrrolidoneHCID 166653HydrideHCID 44547211[6-Chloro-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Product 1

HCID 57441120[3-Methyl-6-[1,2,4]triazol-1-yl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-ef588094de8547838ef385b0473dba67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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