Sodium ion → HCID 178431590, compound

HRID 1148052Notes

Reaction equation

HRID 1148052 reaction equation
[CH3:29][C:30]1([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35][B:36]([c:37]2[cH:38][n:39][c:40]([NH2:43])[n:41][cH:42]2)[O:44]1.[Cl:7][c:8]1[n:9][c:10]([N:22]2[CH:23]([CH3:28])[CH2:24][O:25][CH2:26][CH2:27]2)[c:11]2[n:12][cH:13][n:14]([CH2:17][C:18]([F:19])([F:20])[F:21])[c:15]2[n:16]1.[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1.[OH2:51]>>[c:8]1(-[c:37]2[cH:38][n:39][c:40]([NH2:43])[n:41][cH:42]2)[n:9][c:10]([N:22]2[CH:23]([CH3:28])[CH2:24][O:25][CH2:26][CH2:27]2)[c:11]2[n:12][cH:13][n:14]([CH2:17][C:18]([F:19])([F:20])[F:21])[c:15]2[n:16]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 177502122-Aminopyrimidine-5-boronic acid, pinacol esterHCID 1784315914-[2-chloro-9-(2,2,2-trifluoroethyl)purin-6-yl]-3-methylmorpholine

Product 1

HCID 178431590HCID 178431590, compound

Sources & evidence

ORD record
ord-3e96cf9cc6424716b8a133676b58b079
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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