Ethanol → HCID 178431519, compound

HRID 285630Notes

Reaction equation

HRID 285630 reaction equation
[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]2)[O:42]1.[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[CH3:61][CH2:62][OH:63].[Cl:1][c:2]1[n:3][c:4]([C:15]([CH3:16])([CH3:17])[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][n:24][cH:25][cH:26]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+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:60]>>[c:2]1(-[c:35]2[cH:36][cH:37][c:38]([NH2:39])[cH:40][cH:41]2)[n:3][c:4]([C:15]([CH3:16])([CH3:17])[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][n:24][cH:25][cH:26]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 27346204-(Tetramethyl-1,3,2-dioxaborolan-2-yl)anilineHCID 72282470HCID 72282470, compound

Product 1

HCID 178431519HCID 178431519, compound

Sources & evidence

ORD record
ord-af0a0226dd074ecf865886f89417138f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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