Acetic Acid → HCID 57586385, compound

HRID 149294Notes

Reaction equation

HRID 149294 reaction equation
[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:23][C:24](=[O:25])[OH:26].[CH3:28][CH2:29][CH2:30][CH2:31][N+:32]([CH2:33][CH2:34][CH2:35][CH3:36])([CH2:37][CH2:38][CH2:39][CH3:40])[CH2:41][CH2:42][CH2:43][CH3:44].[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11](-[n:14]3[n:15][n:16][c:17]([Si:19]([CH3:20])([CH3:21])[CH3:22])[cH:18]3)[cH:12][cH:13]2)[n:4][c:5]([NH2:7])[s:6]1.[F-:27].[OH2:45]>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][cH:10][c:11](-[n:14]3[n:15][n:16][cH:17][cH:18]3)[cH:12][cH:13]2)[n:4][c:5]([NH2:7])[s:6]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 57586337HCID 57586337, compound

Product 1

HCID 57586385HCID 57586385, compound

Sources & evidence

ORD record
ord-74df3afb7cfa4bc5955c893a58029577
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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