Sodium ion → HCID 22347121, compound

HRID 97992Notes

Reaction equation

HRID 97992 reaction equation
[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[NH2:26][c:27]1[c:28]2[c:29]([n:30][cH:31][n:32]1)[n:33]([CH:37]1[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]1)[n:34][c:35]2[I:36].[Na+:50].[Na+:51].[O-:52][C:53](=[O:54])[O-:55].[OH2:62].[o:1]1[n:2][c:3]([NH:10][c:11]2[cH:12][cH:13][c:14]([B:17]3[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]3)[cH:15][cH:16]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[o:1]1[n:2][c:3]([NH:10][c:11]2[cH:12][cH:13][c:14](-[c:35]3[c:28]4[c:27]([NH2:26])[n:32][cH:31][n:30][c:29]4[n:33]([CH:37]4[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]4)[n:34]3)[cH:15][cH:16]2)[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 22346822tert-Butyl 4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylateHCID 22347263HCID 22347263, compound

Product 1

HCID 22347121HCID 22347121, compound

Sources & evidence

ORD record
ord-2a695508d68841078b33027278757970
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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