p-Toluenesulfonic acid → p-Toluenesulfonic acid

HRID 688194Notes

Reaction equation

HRID 688194 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].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl:61][CH2:62][Cl:63].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49].[c:50]1([CH3:60])[cH:51][cH:52][c:53]([S:56](=[O:57])(=[O:58])[OH:59])[cH:54][cH:55]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[NH:25][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:50]1([CH3:60])[cH:51][cH:52][c:53]([S:56](=[O:57])(=[O:58])[OH:59])[cH:54][cH:55]1

Participants

7

Reactant 5

HCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 6422Trifluoroacetic 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 178480277HCID 178480277, compound

Sources & evidence

ORD record
ord-0f63e58c2f6f4bf0b408d9cb192ec2b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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