Potassium Cation → 4-{[(3,5-Dimethyl-pyridin-2-ylmethyl)-amino]-methyl}-3-hydroxymethyl-benzonitrile

HRID 679615Notes

Reaction equation

HRID 679615 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:32][OH:33])[c:6]([CH2:7][N:8]([S:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[N+:16]([O-:17])=[O:18])(=[O:19])=[O:20])[CH2:21][c:22]2[n:23][cH:24][c:25]([CH3:29])[cH:26][c:27]2[CH3:28])[cH:30][cH:31]1.[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[SH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH2:32][OH:33])[c:6]([CH2:7][NH:8][CH2:21][c:22]2[n:23][cH:24][c:25]([CH3:29])[cH:26][c:27]2[CH3:28])[cH:30][cH:31]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 7969ThiophenolHCID 19660Carbonate IonHCID 67271378N-(4-cyano-2-hydroxymethyl-benzyl)-N-(3,5-dimethyl-pyridin-2-ylmethyl)-2-nitro-benzene-sulfonamide

Product 1

HCID 672721574-{[(3,5-Dimethyl-pyridin-2-ylmethyl)-amino]-methyl}-3-hydroxymethyl-benzonitrile

Sources & evidence

ORD record
ord-7ab37b1d8dc24aa79700feb1d9347749
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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