Sodium ion → HCID 49869079, compound

HRID 1545422Notes

Reaction equation

HRID 1545422 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[Cl:1][c:2]1[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:39].[Na+:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:47].[n:26]1[cH:27][c:28]([B:32]([OH:33])[OH:34])[cH:29][cH:30][cH:31]1>>[c:2]1(-[c:28]2[cH:27][n:26][cH:31][cH:30][cH:29]2)[n:3][c:4](-[n:14]2[c:15]([CH:23]([F:24])[F:25])[n:16][c:17]3[c:18]2[cH:19][cH:20][cH:21][cH:22]3)[n:5][c:6]([N:8]2[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27343783-Pyridinylboronic acidHCID 220368724-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-yl)morpholine

Product 1

HCID 49869079HCID 49869079, compound

Sources & evidence

ORD record
ord-fe232ce412b74ee39cb77f5582a0d18e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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