Sodium ion → 2-Chloro-4-[4-(2-morpholin-4-yl-ethoxymethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-benzonitrile

HRID 212481Notes

Reaction equation

HRID 212481 reaction equation
[Cl:1][c:2]1[cH:3][c:4]([O:5][CH2:6][c:7]2[c:8]([CH2:22][O:23][S:24]([CH3:25])(=[O:26])=[O:27])[n:9][c:10](-[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]3)[s:11]2)[cH:28][cH:29][c:30]1[C:31]#[N:32].[H-:33].[Na+:34].[OH2:35].[OH:36][CH2:37][CH2:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1>>[Cl:1][c:2]1[cH:3][c:4]([O:5][CH2:6][c:7]2[c:8]([CH2:22][O:23][CH2:37][CH2:38][N:39]3[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[n:9][c:10](-[c:12]3[cH:13][cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]3)[s:11]2)[cH:28][cH:29][c:30]1[C:31]#[N:32]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 611632-MorpholinoethanolHCID 166653HydrideHCID 59296164Methanesulfonic acid 5-(3-chloro-4-cyano-phenoxymethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-4-ylmethyl ester

Product 1

HCID 595948242-Chloro-4-[4-(2-morpholin-4-yl-ethoxymethyl)-2-(4-trifluoromethyl-phenyl)-thiazol-5-ylmethoxy]-benzonitrile

Sources & evidence

ORD record
ord-dacc023b368c41aea9f7ab8515c1f375
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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