Ammonium → HCID 86652474, compound

HRID 1547721Notes

Reaction equation

HRID 1547721 reaction equation
[Br:39][N:40]1[C:41](=[O:42])[CH2:43][CH2:44][C:45]1=[O:46].[C:72]([O:73][CH2:74][CH3:75])(=[O:76])[CH3:77].[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:1][O:2][c:3]1[c:4]([C:14]([CH3:15])=[O:16])[c:5]([O:12][CH3:13])[cH:6][c:7]([CH2:9][O:10][CH3:11])[cH:8]1.[CH3:53][CH2:54][CH2:55][CH2:56][N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69].[CH3:78][CH2:79][CH2:80][CH2:81][CH2:82][CH2:83][CH3:84].[Cl-:70].[F-:52].[F:24][C:25]([F:26])([F:27])[S:28]([O:29][Si:30]([C:31]([CH3:32])([CH3:33])[CH3:34])([CH3:35])[CH3:36])(=[O:37])=[O:38].[NH4+:71].[Na+:47].[O:85]1[CH2:86][CH2:87][CH2:88][CH2:89]1.[OH:48][C:49](=[O:50])[O-:51]>>[CH3:1][O:2][c:3]1[c:4]([C:14]([CH2:15][Br:39])=[O:16])[c:5]([O:12][CH3:13])[cH:6][c:7]([CH2:9][O:10][CH3:11])[cH:8]1

Participants

14

Reactant 13

HCID 223AmmoniumHCID 312ChlorideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 8900HeptaneHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 67184N-bromobutanimideHCID 123564tert-Butyldimethylsilyl trifluoromethanesulphonateHCID 57912462HCID 57912462, compound

Product 1

HCID 86652474HCID 86652474, compound

Sources & evidence

ORD record
ord-b072792167aa490387b53734f5a68548
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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