Benzene → Ethyl [[[[5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]amino]methoxy]acetate

HRID 1537648Notes

Reaction equation

HRID 1537648 reaction equation
[F:1][c:2]1[c:3]([CH:9]([c:10]2[c:11]([CH3:21])[cH:12][c:13]([C:16](=[O:17])[NH:18][CH2:19][OH:20])[n:14][cH:15]2)[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1.[OH2:39].[OH:32][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38].[c:40]1([CH3:41])[cH:42][cH:43][c:44]([S:45]([OH:46])(=[O:47])=[O:48])[cH:49][cH:50]1.[cH:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[F:1][c:2]1[c:3]([CH:9]([c:10]2[c:11]([CH3:21])[cH:12][c:13]([C:16](=[O:17])[NH:18][CH2:19][O:20][CH2:33][C:34](=[O:35])[O:36][CH2:37][CH3:38])[n:14][cH:15]2)[S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 12184Ethyl GlycolateHCID 119996905-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-N-(1-hydroxymethyl)-4-methylpyridine-2-carboxamide

Product 1

HCID 57736550Ethyl [[[[5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridin-2-yl]carbonyl]amino]methoxy]acetate

Sources & evidence

ORD record
ord-db645a98f9a74ebca23f54f9458fc6c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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