Formic Acid → p-Toluenesulfonic acid

HRID 958351Notes

Reaction equation

HRID 958351 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](=[N:17][C:18](=[O:19])[c:20]2[c:21]([O:22][CH2:23][CH:24]3[N:25]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:26][CH2:27]3)[cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]2)[n:8]([CH2:11][CH:12]2[O:13][CH2:14][CH2:15][CH2:16]2)[n:9]1[CH3:10].[CH2:43]=[O:44].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:45]([OH:46])=[O:47].[c:48]1([CH3:58])[cH:49][cH:50][c:51]([S:54](=[O:55])(=[O:56])[OH:57])[cH:52][cH:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](=[N:17][C:18](=[O:19])[c:20]2[c:21]([O:22][CH2:23][CH:24]3[N:25]([CH3:28])[CH2:26][CH2:27]3)[cH:35][cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]2)[n:8]([CH2:11][CH:12]2[O:13][CH2:14][CH2:15][CH2:16]2)[n:9]1[CH3:10].[c:48]1([CH3:58])[cH:49][cH:50][c:51]([S:54](=[O:55])(=[O:56])[OH:57])[cH:52][cH:53]1

Participants

7

Reactant 5

HCID 284Formic AcidHCID 712FormaldehydeHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 178480276tert-butyl 2-[[2-[[5-tert-butyl-1-methyl-2-(oxolan-2-ylmethyl)pyrazol-3-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]methyl]azetidine-1-carboxylate

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178479987HCID 178479987, compound

Sources & evidence

ORD record
ord-ef7625dfd1a44b779265d7c9fece058c
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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