Acetic Acid → HCID 66641242, compound

HRID 2125412Notes

Reaction equation

HRID 2125412 reaction equation
[C:31]([OH:32])(=[O:33])[CH3:34].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][N:8]([C:20]([c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)=[O:28])[CH2:9][CH2:10][c:11]2[c:12]1[nH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][c:19]21.[CH2:35]1[O:36][CH2:37][CH2:38][O:39][CH2:40]1.[Na+:30].[OH-:29].[OH2:41]>>[O:3]=[C:4]([OH:5])[CH:6]1[CH2:7][N:8]([C:20]([c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)=[O:28])[CH2:9][CH2:10][c:11]2[c:12]1[nH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][c:19]21

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 666401053-(4-Fluorobenzoyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester

Product 1

HCID 66641242HCID 66641242, compound

Sources & evidence

ORD record
ord-bb9371397b90466a9293b544267e3a14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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