Dimethyl Sulfoxide → 3-[2-(2,2,6,6-Tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indole-6-carboxylic acid

HRID 99471

Reaction equation

HRID 99471 reaction equation
[CH3:1][C:2]1([CH3:36])[NH:3][C:4]([CH3:34])([CH3:35])[CH2:5][CH:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13](-[c:15]3[cH:16][n:17]([CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[c:18]4[cH:19][c:20]([CH2:24][OH:25])[cH:21][cH:22][c:23]34)[n:14]2)[CH2:7]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:64][S:65]([CH3:66])=[O:67].[CH3:69][CH2:70][O:71][C:72]([CH3:73])=[O:74].[Cl+:60]([O-:61])[O-:62].[Na+:54].[Na+:63].[OH2:68].[OH:55][P:56](=[O:57])([O-:58])[OH:59].[S:50](=[O:51])(=[O:52])=[O:53].[n:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[CH3:1][C:2]1([CH3:36])[NH:3][C:4]([CH3:34])([CH3:35])[CH2:5][CH:6]([NH:8][c:9]2[n:10][cH:11][cH:12][c:13](-[c:15]3[cH:16][n:17]([CH2:26][O:27][CH2:28][CH2:29][Si:30]([CH3:31])([CH3:32])[CH3:33])[c:18]4[cH:19][c:20]([C:24](=[O:25])[OH:51])[cH:21][cH:22][c:23]34)[n:14]2)[CH2:7]1

Participants

11

Reactant 10

HCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 962WaterHCID 1003DihydrogenphosphateHCID 1049PyridineHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 24682Sulfur trioxideHCID 197148ChloriteHCID 57936184[3-[2-(2,2,6,6-Tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indol-6-yl]-methanol

Product 1

HCID 579361353-[2-(2,2,6,6-Tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indole-6-carboxylic acid

Sources & evidence

ORD record
ord-ad97dd4106e84196a9cfee6678cbebc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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