Ammonium → Tert-butyl 4-[4-(5-chloro-2-{2-cyano-4-[(1,2,4-thiadiazol-5-ylamino)sulfonyl]phenoxy}phenyl)pyrimidin-2-yl]piperazine-1-carboxylate

HRID 184824Notes

Reaction equation

HRID 184824 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][cH:16][n:17][s:18]2)[cH:6][cH:7][c:8]1[F:9].[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][S:53](=[O:54])[CH3:55].[Cl-:56].[Cl:19][c:20]1[cH:21][cH:22][c:23]([OH:45])[c:24](-[c:26]2[n:27][c:28]([N:32]3[CH2:33][CH2:34][N:35]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:36][CH2:37]3)[n:29][cH:30][cH:31]2)[cH:25]1.[K+:50].[K+:51].[NH4+:57]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[n:15][cH:16][n:17][s:18]2)[cH:6][cH:7][c:8]1[O:45][c:23]1[cH:22][cH:21][c:20]([Cl:19])[cH:25][c:24]1-[c:26]1[n:27][c:28]([N:32]2[CH2:33][CH2:34][N:35]([C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:36][CH2:37]2)[n:29][cH:30][cH:31]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 580423023-cyano-4-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamideHCID 1357436831,1-Dimethylethyl 4-(4-(5-chloro-2-hydroxyphenyl)-2-pyrimidinyl)-1-piperazinecarboxylate

Product 1

HCID 66905486Tert-butyl 4-[4-(5-chloro-2-{2-cyano-4-[(1,2,4-thiadiazol-5-ylamino)sulfonyl]phenoxy}phenyl)pyrimidin-2-yl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-c06fa6cb3b0f4fb2a56e7bc5ec1c2758
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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