Ethanol → HCID 178431560, compound

HRID 101641Notes

Reaction equation

HRID 101641 reaction equation
[CH2:60]([CH2:61][O:62][CH3:63])[O:64][CH3:65].[CH3:26][C:27]1([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32][B:33]([c:34]2[cH:35][cH:36][c:37]([NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[cH:38][cH:39]2)[O:48]1.[CH3:66][CH2:67][OH:68].[Cl:1][c:2]1[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:25]>>[c:2]1(-[c:34]2[cH:35][cH:36][c:37]([NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47])[cH:38][cH:39]2)[n:3][c:4]([CH2:15][S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2734617tert-butyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamateHCID 178431561HCID 178431561, compound

Product 1

HCID 178431560HCID 178431560, compound

Sources & evidence

ORD record
ord-c6eb48b37c764d189ec9454bd2902403
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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