Sodium ion → HCID 9813876, compound

HRID 302755Notes

Reaction equation

HRID 302755 reaction equation
[NH2:1][c:2]1[n:3][c:4](-[c:18]2[o:19][cH:20][cH:21][cH:22]2)[c:5]([C:16]#[N:17])[c:6]([O:8][S:9]([C:10]([F:11])([F:12])[F:13])(=[O:14])=[O:15])[n:7]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[OH2:38].[OH:23][B:24]([OH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[NH2:1][c:2]1[n:3][c:4](-[c:18]2[o:19][cH:20][cH:21][cH:22]2)[c:5]([C:16]#[N:17])[c:6](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[n:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 66827Phenylboronic AcidHCID 86583747Trifluoromethanesulfonic acid 2-amino-5-cyano-6-furan-2-yl-pyrimidin-4-yl ester

Product 1

HCID 9813876HCID 9813876, compound

Sources & evidence

ORD record
ord-948799fe7aa6449db9cedad9ab763a51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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