Citric Acid → HCID 178521975, compound

HRID 1223556Notes

Reaction equation

HRID 1223556 reaction equation
[C:22]([n:23]1[cH:24][cH:25][n:26][cH:27]1)([n:28]1[cH:29][cH:30][n:31][cH:32]1)=[O:33].[CH2:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH:39]([CH3:40])[CH3:41])[CH3:42].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl:1][c:2]1[c:3](-[c:8]2[c:9]([N:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[n:10][cH:11][c:12]([C:14](=[O:15])[OH:16])[n:13]2)[cH:4][cH:5][cH:6][cH:7]1.[ClH:43].[NH2:44][CH:45]1[CH:46]([OH:51])[CH2:47][CH2:48][CH2:49][CH2:50]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:52][C:53]([CH2:54][C:55]([C:56](=[O:57])[OH:58])([CH2:59][C:60](=[O:61])[OH:62])[OH:63])=[O:64]>>[Cl:1][c:2]1[c:3](-[c:8]2[c:9]([N:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[n:10][cH:11][c:12]([C:14](=[O:16])[NH:44][CH:45]3[CH:46]([OH:51])[CH2:47][CH2:48][CH2:49][CH2:50]3)[n:13]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 232862-AminocyclohexanolHCID 682631,1'-CarbonyldiimidazoleHCID 81531DiisopropylethylamineHCID 67505404HCID 67505404, compound

Product 1

HCID 178521975HCID 178521975, compound

Sources & evidence

ORD record
ord-da384b1f1c344e36b893695adefdab2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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