Ethanol → HCID 178431581, compound

HRID 1206309Notes

Reaction equation

HRID 1206309 reaction equation
[CH3:22][C:23]1([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28][B:29]([c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[O:37]1.[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[CH3:56][CH2:57][OH:58].[Cl:1][c:2]1[n:3][c:4]([N:15]2[CH:16]([CH3:21])[CH2:17][O:18][CH2:19][CH2:20]2)[cH:5][c:6]([CH2:8][S:9](=[O:10])(=[O:11])[CH2:12][CH2:13][OH:14])[n:7]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:55]>>[c:2]1(-[c:30]2[cH:31][cH:32][c:33]([NH2:34])[cH:35][cH:36]2)[n:3][c:4]([N:15]2[CH:16]([CH3:21])[CH2:17][O:18][CH2:19][CH2:20]2)[cH:5][c:6]([CH2:8][S:9](=[O:10])(=[O:11])[CH2:12][CH2:13][OH:14])[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 178431582HCID 178431582, compound

Product 1

HCID 178431581HCID 178431581, compound

Sources & evidence

ORD record
ord-f1f931176c3b4cb399b2c21fe535b97f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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