Sodium ion → N-(1-cyanocyclopropyl)-2-methoxy-4-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

HRID 203301Notes

Reaction equation

HRID 203301 reaction equation
[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([O:28][CH3:29])[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][c:20]([Br:23])[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1.[C:46](=[O:47])([O-:48])[O-:49].[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH3:30][N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1.[Na+:50].[Na+:51].[OH2:52]>>[C:1](#[N:2])[C:3]1([NH:6][C:7](=[O:8])[CH:9]2[CH:10]([O:28][CH3:29])[CH2:11][CH:12]([S:14](=[O:15])(=[O:16])[c:17]3[c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][c:20]([N:34]4[CH2:33][CH2:32][N:31]([CH3:30])[CH2:36][CH2:35]4)[cH:21][cH:22]3)[CH2:13]2)[CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 531671-MethylpiperazineHCID 81531DiisopropylethylamineHCID 723404644-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-N-(1-cyanocyclopropyl)-2-methoxycyclopentane-1-carboxamide

Product 1

HCID 72340511N-(1-cyanocyclopropyl)-2-methoxy-4-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

Sources & evidence

ORD record
ord-32530c5dd7ae41a5b17cf380af5684dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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