Tert-butyl 7-amino-4,5-dihydro-1H-benzo[D]azepine-3(2H)-carboxylate → 7-[8-(3-Trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester

HRID 197940Notes

Reaction equation

HRID 197940 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[O:25][C:26](=[O:27])[N:28]1[CH2:29][CH2:30][c:31]2[c:32]([cH:35][cH:36][c:37]([NH2:39])[cH:38]2)[CH2:33][CH2:34]1.[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6](-[c:10]3[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]3)[cH:7][cH:8][cH:9]2)[n:20]1>>[c:2]1([NH:39][c:37]2[cH:36][cH:35][c:32]3[c:31]([cH:38]2)[CH2:30][CH2:29][N:28]([C:26]([O:25][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:27])[CH2:34][CH2:33]3)[n:3][n:4]2[c:5]([c:6](-[c:10]3[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][cH:15]3)[cH:7][cH:8][cH:9]2)[n:20]1

Participants

3

Reactant 2

HCID 11402789Tert-butyl 7-amino-4,5-dihydro-1H-benzo[D]azepine-3(2H)-carboxylateHCID 674816142-Chloro-8-(3-trifluoromethyl-phenyl)-[1,2,4]-triazolo[1,5-a]pyridine

Product 1

HCID 596125237-[8-(3-Trifluoromethyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-ylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-02a9e5fd4434468dba7aef51074f0289
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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