Ammonium → tert-butyl {[4-(4-chloro-2-{1-[1-(diphenylmethyl)azetidin-3-yl]-1H-pyrazol-5-yl}phenoxy)-3-cyanophenyl]sulfonyl}1,3-thiazol-4-ylcarbamate

HRID 2317749Notes

Reaction equation

HRID 2317749 reaction equation
[C:31](#[N:32])[c:33]1[cH:34][c:35]([S:40](=[O:41])(=[O:42])[N:43]([C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[c:51]2[n:52][cH:53][s:54][cH:55]2)[cH:36][cH:37][c:38]1[F:39].[C:56](=[O:57])([O-:58])[O-:59].[CH3:64][S:65](=[O:66])[CH3:67].[Cl-:62].[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][cH:11][n:12][n:13]2[CH:14]2[CH2:15][N:16]([CH:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:17]2)[c:5]([OH:8])[cH:6][cH:7]1.[K+:60].[K+:61].[NH4+:63]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[cH:10][cH:11][n:12][n:13]2[CH:14]2[CH2:15][N:16]([CH:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:17]2)[c:5]([O:8][c:38]2[c:33]([C:31]#[N:32])[cH:34][c:35]([S:40](=[O:41])(=[O:42])[N:43]([C:44]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:50])[c:51]3[n:52][cH:53][s:54][cH:55]3)[cH:36][cH:37]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 59436569tert-Butyl [(3-cyano-4-fluorophenyl)sulfonyl]1,3-thiazol-4-ylcarbamateHCID 1360636302-[2-(1-Benzhydryl-azetidin-3-yl)-2H-pyrazol-3-yl]-4-chloro-phenol

Product 1

HCID 59436484tert-butyl {[4-(4-chloro-2-{1-[1-(diphenylmethyl)azetidin-3-yl]-1H-pyrazol-5-yl}phenoxy)-3-cyanophenyl]sulfonyl}1,3-thiazol-4-ylcarbamate

Sources & evidence

ORD record
ord-c5adecae03ea48ca8cbc1a33953edaf8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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