Bicarbonate Ion → [5-Chloro-4-[(4-chlorophenylthio)(2,5-difluorophenyl)methyl]pyridin-2-yl]amine

HRID 1211835Notes

Reaction equation

HRID 1211835 reaction equation
[C:44](=[O:45])([OH:46])[O-:47].[Cl:8][c:9]1[c:10]([CH:27]([c:28]2[c:29]([F:35])[cH:30][cH:31][c:32]([F:34])[cH:33]2)[S:36][c:37]2[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]2)[cH:11][c:12]([NH:15][CH2:16][c:17]2[cH:18][cH:19][c:20]([O:21][CH3:22])[c:23]([O:24][CH3:25])[cH:26]2)[n:13][cH:14]1.[Na+:48].[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7]>>[Cl:8][c:9]1[c:10]([CH:27]([c:28]2[c:29]([F:35])[cH:30][cH:31][c:32]([F:34])[cH:33]2)[S:36][c:37]2[cH:38][cH:39][c:40]([Cl:43])[cH:41][cH:42]2)[cH:11][c:12]([NH2:15])[n:13][cH:14]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 231147075-Chloro-4-[(4-chlorophenylthio)(2,5-difluorophenyl)methyl]-2-(3,4-dimethoxybenzylamino)pyridine

Product 1

HCID 23114674[5-Chloro-4-[(4-chlorophenylthio)(2,5-difluorophenyl)methyl]pyridin-2-yl]amine

Sources & evidence

ORD record
ord-58423cdff4fe4657a691f94e37000fd6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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