Citric Acid → 4-(tert-butyl)-N-[1-(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)-3-(2-[{5-chloro-2-pyrimidinyl}oxy]ethoxy)-4-(4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

HRID 141954Notes

Reaction equation

HRID 141954 reaction equation
[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[c:18](-[c:36]3[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]3)[c:19]([O:32][CH2:33][CH2:34][OH:35])[n:20][n:21]2[CH2:22][CH2:23][O:24][Si:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])[cH:11][cH:12]1.[CH2:67]1[O:68][CH2:69][CH2:70][CH2:71]1.[Cl:43][c:44]1[cH:45][n:46][c:47]([S:50]([CH3:51])(=[O:52])=[O:53])[n:48][cH:49]1.[H-:1].[Na+:2].[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[NH:16][c:17]2[c:18](-[c:36]3[cH:37][cH:38][c:39]([CH3:42])[cH:40][cH:41]3)[c:19]([O:32][CH2:33][CH2:34][O:35][c:47]3[n:46][cH:45][c:44]([Cl:43])[cH:49][n:48]3)[n:20][n:21]2[CH2:22][CH2:23][O:24][Si:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 166653HydrideHCID 27277255-Chloro-2-methanesulfonylpyrimidineHCID 234003144-(tert-butyl)-N-[1-(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)-3-(2-hydroxyethoxy)-4-(4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

Product 1

HCID 234003224-(tert-butyl)-N-[1-(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)-3-(2-[{5-chloro-2-pyrimidinyl}oxy]ethoxy)-4-(4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

Sources & evidence

ORD record
ord-f51a04edfdeb48aea884e348968870c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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