Ethanol → HCID 178502243, compound

HRID 2132235Notes

Reaction equation

HRID 2132235 reaction equation
[C:55](=[O:56])([O-:57])[O-:58].[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][C:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([C:23]([NH:24][CH:25]1[CH:26]([OH:34])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21)=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([Br:44])[cH:42][cH:43]1)=[O:45].[CH3:61][CH2:62][OH:63].[CH3:64][O:65][CH2:66][CH2:67][O:68][CH3:69].[Na+:59].[Na+:60].[OH:46][B:47]([OH:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH3:1][O:2][C:3]([NH:4][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[C:10](=[O:11])[NH:12][N:13]([CH2:14][C:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([C:23]([NH:24][CH:25]1[CH:26]([OH:34])[CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]21)=[O:35])[OH:36])[CH2:37][c:38]1[cH:39][cH:40][c:41](-[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:42][cH:43]1)=[O:45]

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 66827Phenylboronic AcidHCID 178502241HCID 178502241, compound

Product 1

HCID 178502243HCID 178502243, compound

Sources & evidence

ORD record
ord-42e7875a94994524ad9e30152a59fd1a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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