Sodium ion → HCID 20817053, compound

HRID 685091Notes

Reaction equation

HRID 685091 reaction equation
[BH:42]([O-:43])[O-:44].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[CH:25](=[O:26])[c:27]1[cH:28][cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1.[I:1][c:2]1[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH2:51]>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([CH:25]=[O:26])[cH:32][cH:31]2)[n:3][n:4]([CH:12]2[CH2:13][CH2:14][CH:15]([N:18]3[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[CH2:16][CH2:17]2)[c:5]2[n:6][cH:7][n:8][c:9]([NH2:11])[c:10]12

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 5910734-Formylphenylboronic AcidHCID 208170473-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amineHCID 178514824HCID 178514824, compound

Product 1

HCID 20817053HCID 20817053, compound

Sources & evidence

ORD record
ord-abacb4c551af4ecd8cacff60dc05fdba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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