Citric Acid → HCID 66612058, compound

HRID 301211Notes

Reaction equation

HRID 301211 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[O:22][c:23]2[cH:24][c:25]3[c:26]([S:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:27]([CH2:32][C:33]([CH3:34])([CH3:35])[C:36](=[O:37])[O:38][CH2:39][CH3:40])[nH:28][c:29]3[cH:30][cH:31]2)[CH2:10][CH2:11][CH2:12]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:66][OH:67].[Li+:51].[OH-:52].[OH2:68].[OH:53][C:54]([CH2:55][C:56]([C:57](=[O:58])[OH:59])([CH2:60][C:61](=[O:62])[OH:63])[OH:64])=[O:65]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[O:22][c:23]2[cH:24][c:25]3[c:26]([S:41][C:42]([CH3:43])([CH3:44])[CH3:45])[c:27]([CH2:32][C:33]([CH3:34])([CH3:35])[C:36](=[O:37])[OH:38])[nH:28][c:29]3[cH:30][cH:31]2)[CH2:10][CH2:11][CH2:12]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 66937569HCID 66937569, compound

Product 1

HCID 66612058HCID 66612058, compound

Sources & evidence

ORD record
ord-c73d49f448dd4680a5ccd7496ce74369
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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