(RS)-N-(4-Cyano-benzyl)-2-(2,6-difluoro-3-hydroxy-phenyl)-2-methoxy-acetamide → (RS)-Trifluoro-methanesulfonic acid 3-[(4-cyano-benzylcarbamoyl)-methoxy-methyl]-2,4-difluoro-phenyl ester

HRID 2155311Notes

Reaction equation

HRID 2155311 reaction equation
[C:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[CH:10]([c:11]2[c:12]([F:13])[cH:14][cH:15][c:16]([OH:17])[c:18]2[F:19])[O:20][CH3:21])[cH:22][cH:23]1)#[N:24].[C:25](#[N:26])[c:27]1[cH:28][cH:29][c:30]([CH2:31][NH:32][C:33](=[O:34])[CH:35]([c:36]2[c:37]([F:51])[c:38]([O:43][S:44](=[O:45])(=[O:46])[C:47]([F:48])([F:49])[F:50])[cH:39][cH:40][c:41]2[F:42])[O:52][CH2:53][CH3:54])[cH:55][cH:56]1>>[C:25](#[N:26])[c:27]1[cH:28][cH:29][c:30]([CH2:31][NH:32][C:33](=[O:34])[CH:35]([c:36]2[c:37]([F:51])[c:38]([O:43][S:44](=[O:45])(=[O:46])[C:47]([F:48])([F:49])[F:50])[cH:39][cH:40][c:41]2[F:42])[O:52][CH3:53])[cH:55][cH:56]1

Participants

3

Reactant 2

HCID 21905078(RS)-N-(4-Cyano-benzyl)-2-(2,6-difluoro-3-hydroxy-phenyl)-2-methoxy-acetamideHCID 86593051(RS)-trifluoro-methanesulfonic acid 3-[(4-cyano-benzylcarbamoyl)-ethoxy-methyl]-2,4-difluoro-phenyl ester

Product 1

HCID 86593052(RS)-Trifluoro-methanesulfonic acid 3-[(4-cyano-benzylcarbamoyl)-methoxy-methyl]-2,4-difluoro-phenyl ester

Sources & evidence

ORD record
ord-0868a39dc5854fcda5280ea105fb6dfe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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