Acetic Acid → HCID 68816080, compound

HRID 2127629Notes

Reaction equation

HRID 2127629 reaction equation
[C:27]([OH:28])(=[O:29])[CH3:30].[C:31]([OH:32])(=[O:33])[C:34]([OH:35])=[O:36].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH:37]1([CH2:42][NH2:43])[CH2:38][CH2:39][CH2:40][CH2:41]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([NH:14][C:15]([CH:16]=[CH:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][Cl:25])[cH:22][cH:23]3)=[O:26])[cH:12][cH:13]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([NH:14][C:15]([CH:16]=[CH:17][c:18]3[cH:19][cH:20][c:21]([CH2:24][NH:43][CH2:42][CH:37]4[CH2:38][CH2:39][CH2:40][CH2:41]4)[cH:22][cH:23]3)=[O:26])[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 971Oxalic AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 80153CyclopentanemethylamineHCID 68816420HCID 68816420, compound

Product 1

HCID 68816080HCID 68816080, compound

Sources & evidence

ORD record
ord-d8fcc92b714c41cebc7da528a031a3ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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