Acetic Acid → HCID 66932389, compound

HRID 1544929Notes

Reaction equation

HRID 1544929 reaction equation
[C:30]([OH:31])(=[O:32])[CH3:33].[CH2:34]=[O:35].[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[O:12][C:11]1([CH2:10][C:9]2=[O:28])[CH2:16][CH2:17][N:18]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH2:19][CH2:20]1)=[O:29].[CH3:45][OH:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[nH:36]1[cH:37][cH:38][c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]12>>[CH3:1][O:2][C:3]([CH:4]=[CH:5][c:6]1[cH:7][c:8]2[c:13]([cH:14][cH:15]1)[O:12][C:11]1([CH2:10][C:9]2=[O:28])[CH2:16][CH2:17][N:18]([CH2:21][c:38]2[cH:37][nH:36][c:44]3[c:39]2[cH:40][cH:41][cH:42][cH:43]3)[CH2:19][CH2:20]1)=[O:29]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 712FormaldehydeHCID 798IndoleHCID 887MethanolHCID 312751,4-DioxaneHCID 66932397tert-butyl 6-(3-methoxy-3-oxoprop-1-enyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

Product 1

HCID 66932389HCID 66932389, compound

Sources & evidence

ORD record
ord-cbc0fb84606d4f1393a72676e176a1e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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