Ammonium → N-(3-{5-(2-Amino-4-pyrimidinyl)-2-[4-(methylsulfonyl)-1-piperazinyl]-1,3-thiazol-4-yl}-2-fluorophenyl)-2,5-difluorobenzenesulfonamide

HRID 2318050Notes

Reaction equation

HRID 2318050 reaction equation
[CH3:47][OH:48].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:23]3[c:24]([F:41])[c:25]([NH:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([F:40])[cH:35][cH:36][c:37]([F:39])[cH:38]4)[cH:26][cH:27][cH:28]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([S:19](=[O:20])(=[O:21])[CH3:22])[CH2:17][CH2:18]3)[s:12]2)[n:7]1.[Cl:44][CH2:45][Cl:46].[NH4+:43].[OH-:42]>>[c:2]1([NH2:43])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:23]3[c:24]([F:41])[c:25]([NH:29][S:30](=[O:31])(=[O:32])[c:33]4[c:34]([F:40])[cH:35][cH:36][c:37]([F:39])[cH:38]4)[cH:26][cH:27][cH:28]3)[n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([S:19](=[O:20])(=[O:21])[CH3:22])[CH2:17][CH2:18]3)[s:12]2)[n:7]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 887MethanolHCID 961HydroxideHCID 6344DichloromethaneHCID 57989647N-(3-{5-(2-Chloro-4-pyrimidinyl)-2-[4-(methylsulfonyl)-1-piperazinyl]-1,3-thiazol-4-yl}-2-fluorophenyl)-2,5-difluorobenzenesulfonamide

Product 1

HCID 57989758N-(3-{5-(2-Amino-4-pyrimidinyl)-2-[4-(methylsulfonyl)-1-piperazinyl]-1,3-thiazol-4-yl}-2-fluorophenyl)-2,5-difluorobenzenesulfonamide

Sources & evidence

ORD record
ord-03ff63e82ba4491d9ef2214cb25efa9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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