P-Anisidine → tert-butyl 6-[3-(4-methoxyanilino)-3-oxopropyl]-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

HRID 283829

Reaction equation

HRID 283829 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[n:12]([CH2:22][CH2:23][C:24](=[O:25])[OH:26])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]2[CH2:20][CH2:21]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:27][O:28][c:29]1[cH:30][cH:31][c:32]([NH2:35])[cH:33][cH:34]1.[CH3:36][N:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][n:43]1)[CH3:44].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[CH:45]([N:46]=[C:47]=[N:48][CH:49]([CH3:50])[CH3:51])([CH3:52])[CH3:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[n:12]([CH2:22][CH2:23][C:24](=[O:26])[NH:35][c:32]3[cH:31][cH:30][c:29]([O:28][CH3:27])[cH:34][cH:33]3)[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]2[CH2:20][CH2:21]1

Participants

7

Reactant 6

HCID 7732P-AnisidineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 12734DiisopropylcarbodiimideHCID 218852-DimethylaminopyridineHCID 223970103-(3-(tert-butoxycarbonyl)-2,3,4,5-tetrahydroazepino[4,5-b]indol-6(1H)-yl)propanoic acid

Product 1

HCID 22396876tert-butyl 6-[3-(4-methoxyanilino)-3-oxopropyl]-1,4,5,6-tetrahydroazepino[4,5-b]indole-3(2H)-carboxylate

Sources & evidence

ORD record
ord-ef8b11a29c2847fcb04627844fda77df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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