Dimethyl Sulfoxide → 4-(4-chloro-2-{1-[1-(diphenylmethyl)azetidin-3-yl]-1H-pyrazol-5-yl}phenoxy)-N-(2,4-dimethoxybenzyl)-2,5-difluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

HRID 2346972Notes

Reaction equation

HRID 2346972 reaction equation
[C:60](=[O:61])([O-:62])[O-:63].[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[c:11]([F:18])[cH:12][c:13]([F:17])[c:14]([F:16])[cH:15]2)[c:19]2[n:20][cH:21][n:22][s:23]2)[cH:24][cH:25][c:26]([O:28][CH3:29])[cH:27]1.[CH3:66][S:67](=[O:68])[CH3:69].[Cl:30][c:31]1[cH:32][c:33](-[c:38]2[cH:39][cH:40][n:41][n:42]2[CH:43]2[CH2:44][N:45]([CH:47]([c:48]3[cH:49][cH:50][cH:51][cH:52][cH:53]3)[c:54]3[cH:55][cH:56][cH:57][cH:58][cH:59]3)[CH2:46]2)[c:34]([OH:37])[cH:35][cH:36]1.[K+:64].[K+:65]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]2[c:11]([F:18])[cH:12][c:13]([O:37][c:34]3[c:33](-[c:38]4[cH:39][cH:40][n:41][n:42]4[CH:43]4[CH2:44][N:45]([CH:47]([c:48]5[cH:49][cH:50][cH:51][cH:52][cH:53]5)[c:54]5[cH:55][cH:56][cH:57][cH:58][cH:59]5)[CH2:46]4)[cH:32][c:31]([Cl:30])[cH:36][cH:35]3)[c:14]([F:16])[cH:15]2)[c:19]2[n:20][cH:21][n:22][s:23]2)[cH:24][cH:25][c:26]([O:28][CH3:29])[cH:27]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 59436583N-(2,4-Dimethoxybenzyl)-2,4,5-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamideHCID 1360636302-[2-(1-Benzhydryl-azetidin-3-yl)-2H-pyrazol-3-yl]-4-chloro-phenol

Product 1

HCID 594365414-(4-chloro-2-{1-[1-(diphenylmethyl)azetidin-3-yl]-1H-pyrazol-5-yl}phenoxy)-N-(2,4-dimethoxybenzyl)-2,5-difluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

Sources & evidence

ORD record
ord-7af783d8c93d419f8453df9441b7ef3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…