Ethanol → HCID 178431492, compound

HRID 1141790Notes

Reaction equation

HRID 1141790 reaction equation
[CH2:50]([CH2:51][O:52][CH3:53])[O:54][CH3:55].[CH3:23][C:24]1([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29][B:30]([c:31]2[cH:32][cH:33][c:34]([NH2:37])[cH:35][cH:36]2)[O:38]1.[CH3:56][CH2:57][OH:58].[Cl:1][c:2]1[n:3][c:4]([C:15]([CH3:16])([S:17](=[O:18])(=[O:19])[CH3:20])[CH3:21])[cH:5][c:6]([N:8]2[CH:9]([CH3:14])[CH2:10][O:11][CH2:12][CH2:13]2)[n:7]1.[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:22]>>[c:2]1(-[c:31]2[cH:32][cH:33][c:34]([NH2:37])[cH:35][cH:36]2)[n:3][c:4]([C:15]([CH3:16])([S:17](=[O:18])(=[O:19])[CH3:20])[CH3:21])[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 27346204-(Tetramethyl-1,3,2-dioxaborolan-2-yl)anilineHCID 72282691HCID 72282691, compound

Product 1

HCID 178431492HCID 178431492, compound

Sources & evidence

ORD record
ord-e90e98a04ddb4aff9d601f0dab576147
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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