1-(Isoquinolin-1-yl)ethan-1-amine → 2-[3-(4-chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[1-(isoquinoline-1-yl)ethyl]-acetamide

HRID 191702Notes

Reaction equation

HRID 191702 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:22][C:23](=[O:24])[OH:25])[c:11](=[O:21])[n:12]2[CH2:13][c:14]2[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]2)[cH:6][cH:7]1.[c:26]1([CH:36]([CH3:37])[NH2:38])[n:27][cH:28][cH:29][c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]12>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:22][C:23](=[O:25])[NH:38][CH:36]([c:26]3[n:27][cH:28][cH:29][c:30]4[cH:31][cH:32][cH:33][cH:34][c:35]34)[CH3:37])[c:11](=[O:21])[n:12]2[CH2:13][c:14]2[c:15]([F:20])[cH:16][cH:17][cH:18][cH:19]2)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 122431091-(Isoquinolin-1-yl)ethan-1-amineHCID 58012119[3-(4-chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-acetic acid

Product 1

HCID 580121912-[3-(4-chlorophenyl)-4-(2-fluorobenzyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[1-(isoquinoline-1-yl)ethyl]-acetamide

Sources & evidence

ORD record
ord-f17d78c418504be0a9fb1a96173d5660
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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