Acetic Acid → HCID 18700088, compound

HRID 1559683Notes

Reaction equation

HRID 1559683 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][c:17]([O:24][C:25]([F:26])([F:27])[F:28])[c:18]([CH2:21][C:22]#[N:23])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[C:29]([O:30][C:31]([O:32][C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])=[O:40])([CH3:41])([CH3:42])[CH3:43].[CH3:53][C:54]([OH:55])=[O:56].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[ClH:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[cH:16][c:17]([O:24][C:25]([F:26])([F:27])[F:28])[c:18]([CH2:53][C:54]([OH:55])=[O:56])[cH:19][cH:20]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 81531DiisopropylethylamineHCID 90495Di-tert-butyl dicarbonateHCID 18700100HCID 18700100, compound

Product 1

HCID 18700088HCID 18700088, compound

Sources & evidence

ORD record
ord-62b8bee1db8e4cfd8ffd80b486345d7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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