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Bromide ion → 3-[5-({[1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carbonyl]-amino}-methyl)-pyridine-2-sulfonyl]-propionic acid methyl ester

HRID 1152195
Notes
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Reaction equation

HRID 1152195 reaction equation
[Br-:38].[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[c:13]3[c:14]([cH:15][n:16][cH:17]2)[n:18](-[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:19][cH:20]3)[cH:6][n:7]1.[CH3:28][O:29][C:30]([CH2:31][CH2:32][S:33](=[O:34])[O-:35])=[O:36].[CH3:39][S:40]([CH3:41])=[O:42].[Cu:43][I:44].[Na+:37]>>[c:2]1([S:33]([CH2:32][CH2:31][C:30]([O:29][CH3:28])=[O:36])(=[O:34])=[O:35])[cH:3][cH:4][c:5]([CH2:8][NH:9][C:10](=[O:11])[c:12]2[c:13]3[c:14]([cH:15][n:16][cH:17]2)[n:18](-[c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:19][cH:20]3)[cH:6][n:7]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 259Bromide ionHCID 679Dimethyl SulfoxideHCID 923Sodium IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 207393043-Methoxy-3-oxopropane-1-sulfinateHCID 451380091-(4-fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carboxylic acid(6-bromopyridin-3-ylmethyl)-amide

Product 1

HCID 592783133-[5-({[1-(4-Fluorophenyl)-1H-pyrazolo[3,4-c]pyridine-4-carbonyl]-amino}-methyl)-pyridine-2-sulfonyl]-propionic acid methyl ester

Sources & evidence

ORD record
ord-a0d8bd5560324d7fa9c486332f112f1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes