Chloride → tert-butyl 4-[5-chloro-2-(2-chloro-4-{[(2,4-dimethoxybenzyl)(1,2,4-thiadiazol-5-yl)amino]sulfonyl}phenoxy)phenyl]-1H-pyrazole-1-carboxylate

HRID 144881Notes

Reaction equation

HRID 144881 reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH3:55][S:56]([CH3:57])=[O:58].[Cl-:60].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:20])[c:6](-[c:8]2[cH:9][n:10][n:11]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:12]2)[cH:7]1.[Cl:21][c:22]1[cH:23][c:24]([S:29](=[O:30])(=[O:31])[N:32]([c:33]2[n:34][cH:35][n:36][s:37]2)[CH2:38][c:39]2[c:40]([O:47][CH3:48])[cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]2)[cH:25][cH:26][c:27]1[F:28].[K+:53].[K+:54].[Na+:59]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:20][c:27]2[c:22]([Cl:21])[cH:23][c:24]([S:29](=[O:30])(=[O:31])[N:32]([c:33]3[n:34][cH:35][n:36][s:37]3)[CH2:38][c:39]3[c:40]([O:47][CH3:48])[cH:41][c:42]([O:45][CH3:46])[cH:43][cH:44]3)[cH:25][cH:26]2)[c:6](-[c:8]2[cH:9][n:10][n:11]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:12]2)[cH:7]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 923Sodium ionHCID 19660Carbonate IonHCID 59436518tert-butyl 4-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-1-carboxylateHCID 594365343-chloro-N-(2,4-dimethoxybenzyl)-4-fluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

Product 1

HCID 59436520tert-butyl 4-[5-chloro-2-(2-chloro-4-{[(2,4-dimethoxybenzyl)(1,2,4-thiadiazol-5-yl)amino]sulfonyl}phenoxy)phenyl]-1H-pyrazole-1-carboxylate

Sources & evidence

ORD record
ord-8d0c06e9105445d08a65eba9f3eb04b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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