1H-Benzotriazole-1-carboximidamide--hydrogen chloride (1/1) → HCID 67494955, compound

HRID 1192239Notes

Reaction equation

HRID 1192239 reaction equation
C1(N2CCC([NH:9][C:10]([C:12]3[S:13][C:14]([S:20][C:21]4[C:26]([Cl:27])=[CH:25][N:24]=[CH:23][C:22]=4[Cl:28])=[C:15]([N+:17]([O-:19])=[O:18])[CH:16]=3)=[O:11])C2)CC1.Cl.[N:30]1([C:39](=[NH:41])[NH2:40])[C:34]2[CH:35]=[CH:36][CH:37]=[CH:38]C=2N=N1>>[C:39]([N:30]1[CH2:34][CH2:35][CH:36]([NH:9][C:10]([C:12]2[S:13][C:14]([S:20][C:21]3[C:22]([Cl:28])=[CH:23][N:24]=[CH:25][C:26]=3[Cl:27])=[C:15]([N+:17]([O-:19])=[O:18])[CH:16]=2)=[O:11])[CH2:37][CH2:38]1)(=[NH:41])[NH2:40]

Participants

3

Reactant 2

HCID 534349021H-Benzotriazole-1-carboximidamide--hydrogen chloride (1/1)HCID 60207424HCID 60207424, compound

Product 1

HCID 67494955HCID 67494955, compound

Procedure

Prepared according to the procedure described for example 236 from 5-((3,5-dichloropyridin-4-yl)thio)-4-nitro-N-(piperidin-4-yl)thiophene-2-carboxamide (0.2 g, 0.43 mmol) from example 198 and 1H-benzo[d][1,2,3]triazole-1-carboximidamide HCl salt (0.17 g, 0.85 mmol) from example 236 step A. The titled product was afforded as a solid (15 mg, 7% yield). 1H NMR (400 MHz, d6-DMSO) δ: 8.99 (2H, m), 8.72 (1H, m), 8.47 (1H, s), 7.37 (4H, m), 3.98 (1H, m), 3.83 (2H, m), 3.17 (2H, m), 1.86 (2H, m), 1.44 (2H, m). MS m/z: 475.11, 477.13 [M+H]+.

Workup

  1. customPrepared

Sources & evidence

ORD record
ord-7f8d0558270d4bf19c26ed6b578aec53
Source dataset
uspto-grants-2014_03
Patent number
US08680139B2

Reaction notes

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