Citric Acid → HCID 68000922, compound

HRID 124892Notes

Reaction equation

HRID 124892 reaction equation
[C:52]([OH:53])([CH3:54])([CH3:55])[CH3:56].[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][CH:10]([CH2:33][C:34](=[O:35])[OH:36])[C:11](=[O:32])[N:12]([CH:21]([CH2:22][O:23][CH2:24][C:25]3([C:28]#[N:29])[CH2:26][CH2:27]3)[CH2:30][CH3:31])[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[K+:38].[OH-:37].[OH:39][C:40]([CH2:41][C:42]([C:43](=[O:44])[OH:45])([CH2:46][C:47](=[O:48])[OH:49])[OH:50])=[O:51]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][CH:10]([CH2:33][C:34](=[O:35])[OH:36])[C:11](=[O:32])[N:12]([CH:21]([CH2:22][O:23][CH2:24][C:25]3([C:28]([NH2:29])=[O:39])[CH2:26][CH2:27]3)[CH2:30][CH3:31])[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 311Citric AcidHCID 813Potassium CationHCID 961HydroxideHCID 6386tert-ButanolHCID 68000891HCID 68000891, compound

Product 1

HCID 68000922HCID 68000922, compound

Sources & evidence

ORD record
ord-49365c75059f413dbbfd3c65020c1201
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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