Acetonitrile → benzyl 1-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl]-2,3,4,5,6,7-hexahydroindole-2-carboxylate

HRID 307234

Reaction equation

HRID 307234 reaction equation
[Br:18][CH:19]([C:20](=[O:21])[N:22]1[CH:23]([C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:24][C:25]2=[C:30]1[CH2:29][CH2:28][CH2:27][CH2:26]2)[CH3:41].[CH3:11][CH2:12][N:13]([CH2:14][CH3:15])[CH2:16][CH3:17].[CH3:42][C:43]#[N:44].[NH2:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH2:8][CH2:9][CH3:10]>>[NH:1]([CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[CH2:8][CH2:9][CH3:10])[CH:19]([C:20](=[O:21])[N:22]1[CH:23]([C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:24][C:25]2=[C:30]1[CH2:29][CH2:28][CH2:27][CH2:26]2)[CH3:41]

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 551577Ethyl 2-aminopentanoateHCID 178435172HCID 178435172, compound

Product 1

HCID 178449078benzyl 1-[2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoyl]-2,3,4,5,6,7-hexahydroindole-2-carboxylate

Sources & evidence

ORD record
ord-4605fdbe6ef54106b10100cf8780d346
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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