Acetic Acid → HCID 70952340, compound

HRID 1212581Notes

Reaction equation

HRID 1212581 reaction equation
[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:29][CH:30]1[N:31]([C:37](=[O:38])[O:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[C:35](=[O:36])[O:33][C:34]1=[O:32].[CH3:53][C:54](=[O:55])[OH:56].[CH3:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH:19]1([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]1.[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[OH2:52]>>[C:19]1([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])([C:34]([CH:30]([CH3:29])[NH:31][C:37](=[O:38])[O:39][CH2:40][c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)=[O:33])[CH2:20][CH2:21]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 962WaterHCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8058HexaneHCID 13676038tert-Butyl cyclopropanecarboxylateHCID 14778048HCID 14778048, compoundHCID 178418339Butyllithium

Product 1

HCID 70952340HCID 70952340, compound

Sources & evidence

ORD record
ord-e3ca7f175fca41bdaeaca6d63cd60b51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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