Hydrochloric Acid → N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-piperazinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,5-difluorobenzenesulfonamide

HRID 666399Notes

Reaction equation

HRID 666399 reaction equation
[CH2:2]1[O:3][CH2:4][CH2:5][O:6][CH2:7]1.[CH3:55][OH:56].[Cl:52][CH2:53][Cl:54].[Cl:8][c:9]1[n:10][cH:11][cH:12][c:13](-[c:15]2[c:16](-[c:33]3[c:34]([F:51])[c:35]([NH:39][S:40](=[O:41])(=[O:42])[c:43]4[c:44]([F:50])[cH:45][cH:46][c:47]([F:49])[cH:48]4)[cH:36][cH:37][cH:38]3)[n:17][c:18]([N:20]3[CH2:21][CH2:22][N:23]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:24][CH2:25]3)[s:19]2)[n:14]1.[ClH:1]>>[Cl:8][c:9]1[n:10][cH:11][cH:12][c:13](-[c:15]2[c:16](-[c:33]3[c:34]([F:51])[c:35]([NH:39][S:40](=[O:41])(=[O:42])[c:43]4[c:44]([F:50])[cH:45][cH:46][c:47]([F:49])[cH:48]4)[cH:36][cH:37][cH:38]3)[n:17][c:18]([N:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[s:19]2)[n:14]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 312751,4-DioxaneHCID 579899561,1-Dimethylethyl 4-[5-(2-chloro-4-pyrimidinyl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-2-yl]-1-piperazinecarboxylate

Product 1

HCID 57989746N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-piperazinyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,5-difluorobenzenesulfonamide

Sources & evidence

ORD record
ord-0784db29c1cd4c0fbe166a1ae3da07b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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