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

HRID 212349
Notes
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Reaction equation

HRID 212349 reaction equation
[C:18](#[N:19])[c:20]1[cH:21][c:22]([S:27](=[O:28])(=[O:29])[N:30]([c:31]2[n:32][cH:33][n:34][s:35]2)[CH2:36][c:37]2[c:38]([O:45][CH3:46])[cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[cH:23][cH:24][c:25]1[F:26].[C:47](=[O:48])([O-:49])[O-:50].[CH3:54][S:55]([CH3:56])=[O:57].[K+:51].[K+:52].[OH2:53].[n:1]1[n:2][cH:3][c:4](-[c:7]2[c:8]([OH:17])[cH:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]2)[cH:5][cH:6]1>>[n:1]1[n:2][cH:3][c:4](-[c:7]2[c:8]([O:17][c:25]3[c:20]([C:18]#[N:19])[cH:21][c:22]([S:27](=[O:28])(=[O:29])[N:30]([c:31]4[n:32][cH:33][n:34][s:35]4)[CH2:36][c:37]4[c:38]([O:45][CH3:46])[cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]4)[cH:23][cH:24]3)[cH:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]2)[cH:5][cH:6]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 580422543-cyano-N-(2,4-dimethoxybenzyl)-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamideHCID 1357416972-(Pyridazin-4-yl)-4-(trifluoromethyl)phenol

Product 1

HCID 594366013-cyano-N-(2,4-dimethoxybenzyl)-4-[2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

Sources & evidence

ORD record
ord-b061bd6ec0df4040a2ea5886b0a222b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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