Ammonium → 5-chloro-N-(2,4-dimethoxybenzyl)-2-fluoro-4-[5-fluoro-2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide

HRID 1151223Notes

Reaction equation

HRID 1151223 reaction equation
[C:48](=[O:49])([O-:50])[O-:51].[CH3:54][S:55](=[O:56])[CH3:57].[Cl-:59].[Cl:1][c:2]1[c:3]([F:29])[cH:4][c:5]([F:28])[c:6]([S:8](=[O:9])(=[O:10])[N:11]([c:12]2[s:13][cH:14][n:15][n:16]2)[CH2:17][c:18]2[c:19]([O:26][CH3:27])[cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[cH:7]1.[F:30][c:31]1[c:32]([C:44]([F:45])([F:46])[F:47])[cH:33][c:34](-[c:38]2[cH:39][n:40][n:41][cH:42][cH:43]2)[c:35]([OH:37])[cH:36]1.[K+:52].[K+:53].[NH4+:60].[OH2:58]>>[Cl:1][c:2]1[c:3]([O:37][c:35]2[c:34](-[c:38]3[cH:39][n:40][n:41][cH:42][cH:43]3)[cH:33][c:32]([C:44]([F:45])([F:46])[F:47])[c:31]([F:30])[cH:36]2)[cH:4][c:5]([F:28])[c:6]([S:8](=[O:9])(=[O:10])[N:11]([c:12]2[s:13][cH:14][n:15][n:16]2)[CH2:17][c:18]2[c:19]([O:26][CH3:27])[cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[cH:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 580422535-chloro-N-(2,4-dimethoxybenzyl)-2,4-difluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamideHCID 1360636295-Fluoro-2-pyridazin-4-yl-4-(trifluoromethyl)phenol

Product 1

HCID 866438255-chloro-N-(2,4-dimethoxybenzyl)-2-fluoro-4-[5-fluoro-2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide

Sources & evidence

ORD record
ord-123be6fdd6174d7998cb96941472bff3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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