Acetic Acid → HCID 57736427, compound

HRID 687272Notes

Reaction equation

HRID 687272 reaction equation
[C:1]([Si:2]([c:3]1[cH:4][cH:5][cH:40][cH:41][cH:42]1)([O:6][CH2:7][CH2:8][O:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][cH:16][c:17]([CH:21]([S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[c:32]2[c:33]([F:39])[cH:34][cH:35][c:36]([F:38])[cH:37]2)[c:18]([CH3:20])[cH:19]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([CH3:49])([CH3:50])[CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[CH3:57][CH2:58][CH2:59][CH2:60][N+:61]([CH2:62][CH2:63][CH2:64][CH3:65])([CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH2:72][CH3:73].[Cl-:74].[F-:56].[NH4+:75].[O:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1>>[OH:6][CH2:7][CH2:8][O:9][CH2:10][NH:11][C:12](=[O:13])[c:14]1[n:15][cH:16][c:17]([CH:21]([S:22](=[O:23])(=[O:24])[c:25]2[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]2)[c:32]2[c:33]([F:39])[cH:34][cH:35][c:36]([F:38])[cH:37]2)[c:18]([CH3:20])[cH:19]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 57736459N-[[2-(tert-butyldiphenylsilyloxy)ethoxy]methyl]-5-[(2,5-difluorophenyl)[(4-fluorophenyl)sulfonyl]methyl]-4-methylpyridine-2-carboxamide

Product 1

HCID 57736427HCID 57736427, compound

Sources & evidence

ORD record
ord-1ae0c1c7ab8e46f3a3b590d193b82698
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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