Ethanol → HCID 69087651, compound

HRID 1202888Notes

Reaction equation

HRID 1202888 reaction equation
[Br:1][c:2]1[c:3](-[c:20]2[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]2)[n:4][c:5]2[n:6]1-[c:7]1[c:8]([n:16][cH:17][cH:18][cH:19]1)[NH:9][c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1.[C:41](=[O:42])([OH:43])[O-:44].[CH3:38][CH2:39][OH:40].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[Na+:45].[c:46]1([B:52]([OH:53])[OH:54])[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[c:2]1(-[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:3](-[c:20]2[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]2)[n:4][c:5]2[n:6]1-[c:7]1[c:8]([n:16][cH:17][cH:18][cH:19]1)[NH:9][c:10]1[c:11]-2[cH:12][cH:13][cH:14][cH:15]1

Participants

7

Reactant 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 66827Phenylboronic AcidHCID 69087643HCID 69087643, compound

Product 1

HCID 69087651HCID 69087651, compound

Sources & evidence

ORD record
ord-ea8ab9ffd395459d9fac319d466a7375
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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