Citric Acid → HCID 66990791, compound

HRID 142326Notes

Reaction equation

HRID 142326 reaction equation
[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][c:24]1[c:25]([C:26](=[O:27])[NH:28][c:29]2[c:30]([C:36]#[N:37])[cH:31][cH:32][c:33]([Cl:35])[cH:34]2)[cH:38][c:39]([N:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[cH:40][cH:41]1.[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[CH:61]([Cl:62])([Cl:63])[Cl:64].[Na+:10].[Na+:11].[O-:12][C:13](=[O:14])[O-:15].[OH2:71].[OH:48][C:49]([CH2:50][C:51]([C:52](=[O:53])[OH:54])([CH2:55][C:56](=[O:57])[OH:58])[OH:59])=[O:60].[c:1]1([O:7][B:8]=[O:9])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:33]2[cH:32][cH:31][c:30]([C:36]#[N:37])[c:29]([NH:28][C:26]([c:25]3[c:24]([O:23][CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[cH:41][cH:40][c:39]([N:42]4[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]4)[cH:38]3)=[O:27])[cH:34]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 923Sodium ion2×HCID 962WaterHCID 6212ChloroformHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 14438906HCID 14438906, compoundHCID 66989829HCID 66989829, compound

Product 1

HCID 66990791HCID 66990791, compound

Sources & evidence

ORD record
ord-7cfae5c12e5441be94a31aafeb3e456d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…