Methanol → (3-(tert-butoxycarbonyl)-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)acetic acid

HRID 172181Notes

Reaction equation

HRID 172181 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][n:6]1[c:7]2[c:8]([c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]13)[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)=[O:27].[CH3:30][OH:31].[Na+:29].[OH-:28]>>[O:3]=[C:4]([CH2:5][n:6]1[c:7]2[c:8]([c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]13)[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[OH:27]

Participants

5

Reactant 4

HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 22396754tert-butyl 6-(2-ethoxy-2-oxoethyl)-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

Product 1

HCID 22396950(3-(tert-butoxycarbonyl)-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)acetic acid

Sources & evidence

ORD record
ord-022f433122ea499ab62f6d42ba1f2679
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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