Dimethyl Sulfoxide → 3-cyano-N-(2,4-dimethoxybenzyl)-4-[2-iodo-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

HRID 215230Notes

Reaction equation

HRID 215230 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](=[O:31])([O-:32])[O-:33].[CH3:49][S:50]([CH3:51])=[O:52].[I:36][c:37]1[c:38]([OH:47])[cH:39][cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1.[K+:34].[K+:35].[OH2:48]>>[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:47][c:38]1[c:37]([I:36])[cH:42][c:41]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:39]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 115728162-Iodo-4-(trifluoromethyl)phenolHCID 580422543-cyano-N-(2,4-dimethoxybenzyl)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

Product 1

HCID 594364853-cyano-N-(2,4-dimethoxybenzyl)-4-[2-iodo-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

Sources & evidence

ORD record
ord-6f03ef01490a4847b2c77cd14754b987
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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