Sodium ion → HCID 67352693, compound

HRID 1125679Notes

Reaction equation

HRID 1125679 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[c:9]([CH:14]=[CH:15][CH:16]([CH2:17][c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]3)[CH2:28][CH2:29][c:30]3[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]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].[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]([CH:14]=[CH:15][CH:16]([CH2:17][c:18]3[cH:19][cH:20][c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27]3)[CH2:28][CH2:29][c:30]3[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]3)[cH:10][cH:11][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 67350655HCID 67350655, compound

Product 1

HCID 67352693HCID 67352693, compound

Sources & evidence

ORD record
ord-2a369b9aa6744dada28e3b9e77c953b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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