Acetone → N-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-9-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine

HRID 1210862Notes

Reaction equation

HRID 1210862 reaction equation
[CH3:36][C:37](=[O:38])[CH3:39].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([c:7]1[c:8]([F:13])[cH:9][cH:10][cH:11][cH:12]1)[c:14]1[n:15][c:16]([NH:19][c:20]2[cH:21][c:22]([O:32][CH3:33])[c:23](-[n:26]3[cH:27][n:28][c:29]([Cl:31])[cH:30]3)[cH:24][cH:25]2)[n:17][nH:18]1.[I-:35].[Na+:34]>>[CH2:2]1[CH2:3][CH2:4][CH2:5][CH:6]([c:7]2[c:8]([F:13])[cH:9][cH:10][cH:11][cH:12]2)[c:14]2[n:15][c:16]([NH:19][c:20]3[cH:21][c:22]([O:32][CH3:33])[c:23](-[n:26]4[cH:27][n:28][c:29]([Cl:31])[cH:30]4)[cH:24][cH:25]3)[n:17][n:18]21

Participants

5

Reactant 4

HCID 180AcetoneHCID 923Sodium ionHCID 30165Iodide IonHCID 668589545-(5-chloro-1-(2-fluorophenyl)pentyl)-N-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine

Product 1

HCID 46864955N-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-9-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[1,5-a]azepin-2-amine

Sources & evidence

ORD record
ord-4fe41a4395d541218acae9f8c387b900
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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