Hydrochloric Acid → tert-butoxycarbonylamino-{3-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanylethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-acetic acid

HRID 1575817Notes

Reaction equation

HRID 1575817 reaction equation
[Br:35][c:36]1[cH:37][c:38]([CH:42]([C:43](=[O:44])[OH:45])[NH:46][C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:39][cH:40][cH:41]1.[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:12]3[n:13][cH:14][c:15]([B:18]4[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1.[CH3:61][C:62]#[N:63].[ClH:60].[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59]>>[CH3:1][O:2][c:3]1[c:4](-[c:9]2[n:10][n:11]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:12]3[n:13][cH:14][c:15](-[c:36]4[cH:37][c:38]([CH:42]([C:43](=[O:44])[OH:45])[NH:46][C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:39][cH:40][cH:41]4)[cH:16][c:17]23)[cH:5][cH:6][cH:7][cH:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 208237842-(3-Bromophenyl)-2-((tert-butoxycarbonyl)amino)acetic acidHCID 598360923-(2-methoxy-phenyl)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1-(2-trimethylsilanyl-ethoxy-methyl)-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 59825000tert-butoxycarbonylamino-{3-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanylethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-acetic acid

Sources & evidence

ORD record
ord-cdc815cef85c417caed23108b6b24749
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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