Sodium ion → HCID 178422650, compound

HRID 1131948Notes

Reaction equation

HRID 1131948 reaction equation
[CH3:1][O:2][C:3]([c:4]1[c:5]([CH3:6])[cH:7][c:8](-[c:9]2[cH:10][cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18]2)[cH:19][n:20]1)=[O:21].[CH3:53][C:54]1([CH3:55])[C:56]([CH3:57])([CH3:58])[O:59][B:60]([c:61]2[n:62][nH:63][cH:64][cH:65]2)[O:66]1.[Cl:22][c:23]1[c:24](-[c:43]2[cH:44][c:45]([C:49]([F:50])([F:51])[F:52])[cH:46][cH:47][cH:48]2)[cH:25][c:26]([CH3:42])[c:27]([C:29](=[O:30])[N:31]2[CH2:32][CH2:33][CH:34]([N:37]3[CH2:38][CH2:39][CH2:40][CH2:41]3)[CH2:35][CH2:36]2)[n:28]1.[Na+:67].[Na+:68].[O-:69][C:70](=[O:71])[O-:72].[O:74]1[CH2:75][CH2:76][O:77][CH2:78][CH2:79]1.[OH2:73]>>[c:23]1(-[c:61]2[n:62][nH:63][cH:64][cH:65]2)[c:24](-[c:43]2[cH:44][c:45]([C:49]([F:50])([F:51])[F:52])[cH:46][cH:47][cH:48]2)[cH:25][c:26]([CH3:42])[c:27]([C:29](=[O:30])[N:31]2[CH2:32][CH2:33][CH:34]([N:37]3[CH2:38][CH2:39][CH2:40][CH2:41]3)[CH2:35][CH2:36]2)[n:28]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 44547211[6-Chloro-3-methyl-5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanoneHCID 574411233-Methyl-5-(3-trifluoromethyl-phenyl)-pyridine-2-carboxylic acid methyl esterHCID 178431094HCID 178431094, compound

Product 1

HCID 178422650HCID 178422650, compound

Sources & evidence

ORD record
ord-097954c18cdd463bbc362442d704bab2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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