Dimethyl Sulfoxide → HCID 59436536, compound

HRID 181531Notes

Reaction equation

HRID 181531 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:10](=[O:11])(=[O:12])[N:13]([c:14]2[n:15][cH:16][n:17][s:18]2)[CH2:19][c:20]2[c:21]([O:28][CH3:29])[cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[cH:6][cH:7][c:8]1[F:9].[C:30]([CH3:31])([CH3:32])([CH3:33])[n:34]1[n:35][cH:36][c:37](-[c:46]2[c:47]([OH:53])[cH:48][cH:49][c:50]([Cl:52])[cH:51]2)[c:38]1[NH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45].[C:54](=[O:55])([O-:56])[O-:57].[CH3:60][S:61](=[O:62])[CH3:63].[K+:58].[K+:59]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:10](=[O:11])(=[O:12])[N:13]([c:14]2[n:15][cH:16][n:17][s:18]2)[CH2:19][c:20]2[c:21]([O:28][CH3:29])[cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[cH:6][cH:7][c:8]1[O:53][c:47]1[c:46](-[c:37]2[cH:36][n:35][n:34]([C:30]([CH3:31])([CH3:32])[CH3:33])[c:38]2[NH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45])[cH:51][c:50]([Cl:52])[cH:49][cH:48]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 580422543-cyano-N-(2,4-dimethoxybenzyl)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamideHCID 59436577N-(1-(tert-butyl)-4-(5-chloro-2-hydroxyphenyl)-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide

Product 1

HCID 59436536HCID 59436536, compound

Sources & evidence

ORD record
ord-885e0c73fc824eeabe82a9f35b2d74e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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