Sodium ion → HCID 178422653, compound

HRID 2318815Notes

Reaction equation

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

Participants

Reactant 4

HCID 923Sodium ion2×

HCID 6422Trifluoroacetic acid

HCID 19660Carbonate Ion

HCID 57441141[6-[1-(4-Methoxy-benzyl)-1H-[1,2,3]triazol-4-yl]-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

Product 1

HCID 178422653HCID 178422653, compound

Sources & evidence

ORD record: ord-390db459aa844735bcdedab3d20630c5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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