Sodium ion → 1-(1,4-dioxaspiro[4.5]dec-8-yl)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 2147395Notes

Reaction equation

HRID 2147395 reaction equation
[Br:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][CH2:14][C:15]3([O:16][CH2:17][CH2:18][O:19]3)[CH2:20][CH2:21]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[CH2:44]([CH2:45][O:46][CH3:47])[O:48][CH3:49].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[O:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([O:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:34][cH:33]2)[n:3][n:4]([CH:12]2[CH2:13][CH2:14][C:15]3([O:16][CH2:17][CH2:18][O:19]3)[CH2:20][CH2:21]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27343774-Phenoxyphenylboronic acidHCID 223472163-bromo-1-(1,4-dioxaspiro[4.5]dec-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine

Product 1

HCID 223467671-(1,4-dioxaspiro[4.5]dec-8-yl)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-ee2bd1bb3b0345cba447320e29b4120b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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