5-Fluoroindole-2-carboxylic acid → HCID 22065999, compound

HRID 1556622Notes

Reaction equation

HRID 1556622 reaction equation
[CH3:28][CH2:29][N:30]=[C:31]=[N:32][CH2:33][CH2:34][CH2:35][N:36]([CH3:37])[CH3:38].[Cl:39][CH2:40][Cl:41].[F:15][c:16]1[cH:17][c:18]2[cH:19][c:20]([C:25](=[O:26])[OH:27])[nH:21][c:22]2[cH:23][cH:24]1.[N:1]1([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1>>[N:1]1([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:2][CH2:3][N:4]([C:25]([c:20]2[cH:19][c:18]3[cH:17][c:16]([F:15])[cH:24][cH:23][c:22]3[nH:21]2)=[O:26])[CH2:5][CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 18205-Fluoroindole-2-carboxylic acidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylate

Product 1

HCID 22065999HCID 22065999, compound

Sources & evidence

ORD record
ord-914a6c648a484c7cae7c47ebf8e4e158
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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