Potassium Cation → Potassium Cation

HRID 1545443Notes

Reaction equation

HRID 1545443 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:45][OH:46].[K+:39].[NH2:1][C:2](=[O:3])[c:4]1[c:5]([NH:21][c:22]2[cH:23][cH:24][cH:25][c:26]([CH2:28][n:29]3[n:30][n:31][c:32]([C:34](=[O:35])[O:36][CH3:37])[cH:33]3)[n:27]2)[s:6][c:7](-[c:9]2[c:10]([F:20])[cH:11][c:12]([C:16]([CH3:17])([CH3:18])[OH:19])[cH:13][c:14]2[F:15])[cH:8]1.[OH-:38]>>[K+:39].[NH2:1][C:2](=[O:3])[c:4]1[c:5]([NH:21][c:22]2[cH:23][cH:24][cH:25][c:26]([CH2:28][n:29]3[n:30][n:31][c:32]([C:34](=[O:35])[O-:36])[cH:33]3)[n:27]2)[s:6][c:7](-[c:9]2[c:10]([F:20])[cH:11][c:12]([C:16]([CH3:17])([CH3:18])[OH:19])[cH:13][c:14]2[F:15])[cH:8]1

Participants

7

Reactant 5

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 59525991Methyl 1-{[6-({3-(aminocarbonyl)-5-[2,6-difluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl}-1H-1,2,3-triazole-4-carboxylate

Product 2

HCID 813Potassium CationHCID 595257791-[[6-[[3-Carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-2-pyridinyl]methyl]triazole-4-carboxylate

Sources & evidence

ORD record
ord-613463b694c144c89b991448b82d23d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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