Acetic Acid → HCID 178467296, compound

HRID 114863Notes

Reaction equation

HRID 114863 reaction equation
[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:47][CH2:48][CH2:49][CH2:50][N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63].[F-:46].[NH2:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([C:11]2=[C:12]([C:29](=[O:30])[O:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]3)[N:13]3[C:14](=[O:28])[CH:15]([CH:18]([CH3:19])[O:20][Si:21]([CH2:22][CH3:23])([CH2:24][CH3:25])[CH2:26][CH3:27])[CH:16]3[CH2:17]2)[cH:9][cH:10]1>>[NH2:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([C:11]2=[C:12]([C:29](=[O:30])[O:31][CH2:32][c:33]3[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]3)[N:13]3[C:14](=[O:28])[CH:15]([CH:18]([CH3:19])[OH:20])[CH:16]3[CH2:17]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 8028Tetrahydrofuran2×HCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178477556HCID 178477556, compound

Product 1

HCID 178467296HCID 178467296, compound

Sources & evidence

ORD record
ord-39c3678d8dbc4019a53784ba3928c539
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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