Hydrochloric Acid → Hydrochloric Acid

HRID 93232Notes

Reaction equation

HRID 93232 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:35])(=[O:36])[C:7]([c:11]2[cH:12][cH:13][c:14]([CH2:17][CH:18]([C:19]#[N:20])[NH:21][S:22](=[O:23])(=[O:24])[c:25]3[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]3)[cH:15][cH:16]2)=[CH:8][C:9]1=[O:10].[CH2:41]([Cl:42])[Cl:43].[CH3:37][CH2:38][OH:39].[ClH:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:35])(=[O:36])[C:7]([c:11]2[cH:12][cH:13][c:14]([CH2:17][CH:18]([C:19](=[NH:20])[O:39][CH2:38][CH3:37])[NH:21][S:22](=[O:23])(=[O:24])[c:25]3[cH:26][c:27]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:29][cH:30]3)[cH:15][cH:16]2)=[CH:8][C:9]1=[O:10].[ClH:40]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 69597741n-{2-[4-(2-Tert-butyl-1,1,3-trioxo-2,3-dihydro-1h-1lambda6-isothiazol-5-yl)-phenyl]-1-cyano-ethyl}-3-trifluoromethyl-benzenesulfonamide

Product 2

HCID 313Hydrochloric AcidHCID 69597774Ethyl 3-[4-(2-tert-butyl-1,1,3-trioxo-1,2-thiazol-5-yl)phenyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanimidate

Sources & evidence

ORD record
ord-ab8e11bfdeb448068aa584e4e6332aca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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