Sodium ion → HCID 57864397, compound

HRID 1535198Notes

Reaction equation

HRID 1535198 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[c:9]([CH2:14][CH2:15][N:16]([CH2:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]3)[CH2:27][c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:38][cH:39]1.[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+:53].[Na+:54].[O-:55][C:56](=[O:57])[O-:58]>>[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]([CH2:14][CH2:15][N:16]([CH2:17][CH2:18][c:19]3[cH:20][cH:21][c:22]([C:25]#[N:26])[cH:23][cH:24]3)[CH2:27][c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH3:35])[cH:36][cH:37]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:38][cH:39]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27343894-(Trifluoromethyl)phenylboronic acidHCID 57864336Methyl 4-({{2-[2-(4-bromobenzyloxy)phenyl]ethyl}-[2-(4-cyanophenyl)ethyl]amino}methyl)benzoate

Product 1

HCID 57864397HCID 57864397, compound

Sources & evidence

ORD record
ord-d4661d6a844e4e0a8d73de3df96bfe71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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