Acetic Acid → HCID 21072009, compound

HRID 108891Notes

Reaction equation

HRID 108891 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][cH:13]1)[C:10](=[O:14])[C:9]([CH2:15][CH2:16][C:17]([CH3:18])=[O:19])([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:8]2.[CH2:24]1[CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:29][C:30](=[O:31])[OH:32].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]2[c:11]([cH:12][cH:13]1)[C:10]1=[CH:18][C:17](=[O:19])[CH2:16][CH2:15][C:9]1([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:8]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 1140TolueneHCID 8857Ethyl AcetateHCID 31268PyrrolidineHCID 21072001HCID 21072001, compound

Product 1

HCID 21072009HCID 21072009, compound

Sources & evidence

ORD record
ord-31ebccc60ca34f1592fbae4babe04ca0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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