Chloride → HCID 86597694, compound

HRID 2158505Notes

Reaction equation

HRID 2158505 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:53][S:54]([CH3:55])=[O:56].[Cl-:46].[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([Cl:32])[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36].[K+:51].[K+:52].[Li+:45].[OH2:57].[OH:37][CH2:38][CH:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:13]([C:14](=[O:15])[N:16]([CH3:17])[c:18]2[cH:19][n:20][c:21]([N:42]3[CH2:41][CH2:40][CH:39]([CH2:38][OH:37])[CH2:44][CH2:43]3)[cH:22][c:23]2-[c:24]2[c:25]([CH3:31])[cH:26][c:27]([F:30])[cH:28][cH:29]2)([CH3:33])[CH3:34])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:35])[F:36]

Participants

9

Reactant 8

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 28486Lithium ionHCID 4207714-PiperidinemethanolHCID 235027842-(3,5-Bis(trifluoromethyl)phenyl)-N-(6-chloro-4-(4-fluoro-2-methylphenyl)pyrid-3-yl)-N,2-dimethylpropanamide

Product 1

HCID 86597694HCID 86597694, compound

Sources & evidence

ORD record
ord-5ea82254f6444dd8a2905170897bf15b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…