Citric Acid → HCID 59334939, compound

HRID 98123Notes

Reaction equation

HRID 98123 reaction equation
[BH4-:38].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][N:9]([c:10]1[cH:11][c:12]2[c:16]([cH:17][cH:18]1)[N:15]([C:19]([NH:20][CH3:21])=[O:22])[CH2:14][CH:13]2[C:23](=[O:24])[O:25][CH3:26])[S:27](=[O:28])(=[O:29])[c:30]1[cH:31][c:32]([Cl:37])[cH:33][c:34]([Cl:36])[cH:35]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Li+:39].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH2:64].[OH:46][C:47]([CH2:48][C:49]([C:50](=[O:51])[OH:52])([CH2:53][C:54](=[O:55])[OH:56])[OH:57])=[O:58]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][N:9]([c:10]1[cH:11][c:12]2[c:16]([cH:17][cH:18]1)[N:15]([C:19]([NH:20][CH3:21])=[O:22])[CH2:14][CH:13]2[CH2:23][OH:24])[S:27](=[O:28])(=[O:29])[c:30]1[cH:31][c:32]([Cl:37])[cH:33][c:34]([Cl:36])[cH:35]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 28123BorohydrideHCID 28486Lithium ionHCID 59334862HCID 59334862, compound

Product 1

HCID 59334939HCID 59334939, compound

Sources & evidence

ORD record
ord-feaadb8117e448d3a26fdb69eb8f1ea3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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