Sodium ion → HCID 59265035, compound

HRID 1151115Notes

Reaction equation

HRID 1151115 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[c:9]([CH2:15][CH2:16][N:17]([CH2:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:27][c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]3)[n:10][c:11]([CH3:14])[cH:12][cH:13]2)[cH:38][cH:39]1.[C:53](=[O:54])([O-:55])[O-:56].[CH3:59][O:60][CH2:61][CH2:62][O:63][CH3:64].[F:40][C:41]([c:42]1[cH:43][cH:44][c:45]([B:48]([OH:49])[OH:50])[cH:46][cH:47]1)([F:51])[F:52].[Na+:57].[Na+:58].[OH2:65]>>[c:2]1(-[c:45]2[cH:44][cH:43][c:42]([C:41]([F:40])([F:51])[F:52])[cH:47][cH:46]2)[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[c:9]([CH2:15][CH2:16][N:17]([CH2:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:27][c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]3)[n:10][c:11]([CH3:14])[cH:12][cH:13]2)[cH:38][cH:39]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 59265005HCID 59265005, compound

Product 1

HCID 59265035HCID 59265035, compound

Sources & evidence

ORD record
ord-7a1405b0665d4ef68027cdc77a025642
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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