Sodium ion → HCID 178435902, compound

HRID 1138436Notes

Reaction equation

HRID 1138436 reaction equation
[CH2:35]([CH3:36])[c:37]1[c:38]([B:43]([OH:44])[OH:45])[cH:39][cH:40][cH:41][cH:42]1.[CH:59]([OH:60])([CH3:61])[CH3:62].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[c:52]1([CH3:53])[cH:54][cH:55][cH:56][cH:57][cH:58]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:38]3[c:37]([CH2:35][CH3:36])[cH:42][cH:41][cH:40][cH:39]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 41008622-Ethylphenylboronic Acid (contains varying amounts of Anhydride)HCID 76590705HCID 76590705, compound

Product 1

HCID 178435902HCID 178435902, compound

Sources & evidence

ORD record
ord-e536c5e7b3f84f0c8646319a157228f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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