Sodium ion → HCID 67242910, compound

HRID 691230Notes

Reaction equation

HRID 691230 reaction equation
[CH3:35][c:36]1[c:37]([B:42]([OH:43])[OH:44])[cH:38][cH:39][cH:40][cH:41]1.[CH:58]([OH:59])([CH3:60])[CH3:61].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[c:51]1([CH3:52])[cH:53][cH:54][cH:55][cH:56][cH:57]1.[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27][c:28]1[cH:29][n:30][c:31]([Br:34])[cH:32][cH:33]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27][c:28]1[cH:29][n:30][c:31](-[c:37]3[c:36]([CH3:35])[cH:41][cH:40][cH:39][cH:38]3)[cH:32][cH:33]1)[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 1140TolueneHCID 3776IsopropanolHCID 19660Carbonate IonHCID 27332672-Methylphenyl boronic acidHCID 76590705HCID 76590705, compound

Product 1

HCID 67242910HCID 67242910, compound

Sources & evidence

ORD record
ord-3f260dcb689d4e708e891aa7dcfc4c68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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