Citric Acid → HCID 178452301, compound

HRID 302467Notes

Reaction equation

HRID 302467 reaction equation
[Br:35][CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:22](=[O:23])[N:24]2[CH2:25][S:26][CH2:27][CH2:28]2)[CH2:10][CH:11]([NH:13][c:14]2[n:15][cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]2)[CH2:12]1.[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[K+:34].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:22](=[O:23])[N:24]2[CH2:25][S:26][CH2:27][CH2:28]2)[CH2:10][CH:11]([N:13]([c:14]2[n:15][cH:16][c:17]([C:20]#[N:21])[cH:18][cH:19]2)[CH2:36][c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[CH2:12]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 813Potassium CationHCID 6228DimethylformamideHCID 7498Benzyl BromideHCID 45749132-Methylpropan-2-olateHCID 178452230HCID 178452230, compound

Product 1

HCID 178452301HCID 178452301, compound

Sources & evidence

ORD record
ord-9c7b9d7f4c70420b94297e0ce9099623
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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