Sodium ion → HCID 20817058, compound

HRID 313760Notes

Reaction equation

HRID 313760 reaction equation
[C:50](=[O:51])([O-:52])[O-:53].[CH3:56][O:57][CH2:58][CH2:59][O:60][CH3:61].[I:25][c:26]1[n:27][n:28]([CH:36]2[CH2:37][CH2:38][CH:39]([N:42]3[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]3)[CH2:40][CH2:41]2)[c:29]2[n:30][cH:31][n:32][c:33]([NH2:35])[c:34]12.[Na+:54].[Na+:55].[OH2:49].[OH2:62].[c:1]1([CH:7]([C:8]#[N:9])[c:10]2[cH:11][cH:12][c:13]([B:16]3[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]3)[cH:14][cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([C:8]#[N:9])[c:10]2[cH:11][cH:12][c:13](-[c:26]3[n:27][n:28]([CH:36]4[CH2:37][CH2:38][CH:39]([N:42]5[CH2:43][CH2:44][N:45]([CH3:48])[CH2:46][CH2:47]5)[CH2:40][CH2:41]4)[c:29]4[n:30][cH:31][n:32][c:33]([NH2:35])[c:34]34)[cH:14][cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962Water2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 208170473-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 22347218HCID 22347218, compound

Product 1

HCID 20817058HCID 20817058, compound

Sources & evidence

ORD record
ord-6c5c4d6fec19493598a7a3c3677fe574
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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