Potassium Cation → Methyl 2-((5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate

HRID 177740Notes

Reaction equation

HRID 177740 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[Cl:1][CH2:2][C:3](=[O:4])[O:5][CH3:6].[K+:31].[K+:32].[NH2:7][c:8]1[n:9](-[c:14]2[cH:15][cH:16][c:17]([CH:24]3[CH2:25][CH2:26]3)[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[c:10]([SH:13])[n:11][n:12]1.[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH2:33]>>[CH2:2]([C:3](=[O:4])[O:5][CH3:6])[S:13][c:10]1[n:9](-[c:14]2[cH:15][cH:16][c:17]([CH:24]3[CH2:25][CH2:26]3)[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]23)[c:8]([NH2:7])[n:12][n:11]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 7295Methyl chloroacetateHCID 19660Carbonate IonHCID 178509206HCID 178509206, compound

Product 1

HCID 59763691Methyl 2-((5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate

Sources & evidence

ORD record
ord-64756411fd4b402aab72127faa368eee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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