Citric Acid → HCID 178452006, compound

HRID 2328821Notes

Reaction equation

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH:30][C:31]([c:32]2[cH:33][cH:34][c:35]([O:38][Si:39]([C:40]([CH3:41])([CH3:42])[CH3:43])([CH3:44])[CH3:45])[cH:36][cH:37]2)=[O:46])[CH:11]([O:15][C:16](=[O:17])[c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:22][cH:23]2)[CH2:12][CH2:13][CH2:14]1.[CH2:51]([N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH3:67].[Cl-:69].[F-:50].[Na+:68].[O:83]1[CH2:84][CH2:85][CH2:86][CH2:87]1.[OH2:47].[OH2:48].[OH2:49].[OH:70][C:71]([CH2:72][C:73]([C:74](=[O:75])[OH:76])([CH2:77][C:78](=[O:79])[OH:80])[OH:81])=[O:82]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH:30][C:31]([c:32]2[cH:33][cH:34][c:35]([OH:38])[cH:36][cH:37]2)=[O:46])[CH:11]([O:15][C:16](=[O:17])[c:18]2[cH:19][cH:20][c:21](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:22][cH:23]2)[CH2:12][CH2:13][CH2:14]1

Participants

Reactant 8

HCID 8028Tetrahydrofuran

HCID 16028Tetrabutylammonium

HCID 28179Fluoride Ion

HCID 178452007HCID 178452007, compound

Product 1

HCID 178452006HCID 178452006, compound

Sources & evidence

ORD record: ord-b1ec09810823427a9162aaa84e91c537
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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