Acetic Acid → HCID 15225806, compound

HRID 138233Notes

Reaction equation

HRID 138233 reaction equation
[Br-:28].[CH2:20]([CH3:21])[I:22].[CH3:24][S:25](=[O:26])[CH3:27].[CH3:29][CH2:30][CH2:31][CH2:32][N+:33]([CH2:34][CH2:35][CH2:36][CH3:37])([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH2:44][CH3:45].[CH3:46][OH:47].[CH3:48][C:49](=[O:50])[OH:51].[Na+:19].[OH-:18].[OH2:23].[cH:1]1[cH:2][n:3][c:4]2[n:5]1[c:6]1[c:7]([nH:8][c:9]2=[O:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[nH:17]1>>[cH:1]1[cH:2][n:3][c:4]2[n:5]1[c:6]1[c:7]([nH:8][c:9]2=[O:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[n:17]1[CH2:20][CH3:21]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 259Bromide ionHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6340IodoethaneHCID 16028TetrabutylammoniumHCID 15225808HCID 15225808, compound

Product 1

HCID 15225806HCID 15225806, compound

Sources & evidence

ORD record
ord-c4d0c23218474b4b891bf9ad7dced61d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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