Dimethylformamide → ethyl 3-(5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)propanoate

HRID 686678Notes

Reaction equation

HRID 686678 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][Br:7])=[O:8].[NH2:9][c:10]1[n:11](-[c:16]2[cH:17][cH:18][c:19]([CH:26]3[CH2:27][CH2:28]3)[c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[c:12]([SH:15])[n:13][n:14]1.[O:29]=[CH:30][N:31]([CH3:32])[CH3:33]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][S:15][c:12]1[n:11](-[c:16]2[cH:17][cH:18][c:19]([CH:26]3[CH2:27][CH2:28]3)[c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]23)[c:10]([NH2:9])[n:14][n:13]1)=[O:8]

Participants

4

Reactant 3

HCID 6228DimethylformamideHCID 68320Ethyl 3-bromopropionateHCID 178509206HCID 178509206, compound

Product 1

HCID 57811365ethyl 3-(5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-ylthio)propanoate

Sources & evidence

ORD record
ord-2fbbb139fc85491e98edcf07a1bbeaa6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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