Hydrochloric Acid → (+/-)-Isopropyl 5-[acetyl-(3,5-bistrifluoromethylbenzyl)amino]-6-methyl-tetrahydrobenzo[b]azepine-1-carboxylate

HRID 125374Notes

Reaction equation

HRID 125374 reaction equation
[CH3:1][C:2](=[O:3])[O:4][C:5](=[O:6])[CH3:7].[CH:8]([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[c:15]2[c:16]([c:37]([CH3:41])[cH:38][cH:39][cH:40]2)[CH:17]([NH:21][CH2:22][c:23]2[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]2)[CH2:18][CH2:19][CH2:20]1.[Cl:49][CH2:50][Cl:51].[ClH:48].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[CH3:1][C:2](=[O:3])[N:21]([CH:17]1[c:16]2[c:15]([cH:40][cH:39][cH:38][c:37]2[CH3:41])[N:14]([C:12]([O:11][CH:8]([CH3:9])[CH3:10])=[O:13])[CH2:20][CH2:19][CH2:18]1)[CH2:22][c:23]1[cH:24][c:25]([C:33]([F:34])([F:35])[F:36])[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 6344DichloromethaneHCID 7918Acetic AnhydrideHCID 86616077(+/-)-5-(3,5-Bis-trifluoromethyl-benzylamino)-6-methyl-2,3,4,5-tetrahydro-benzo[b]azepine-1-carboxylic acid isopropyl ester

Product 1

HCID 59003181(+/-)-Isopropyl 5-[acetyl-(3,5-bistrifluoromethylbenzyl)amino]-6-methyl-tetrahydrobenzo[b]azepine-1-carboxylate

Sources & evidence

ORD record
ord-6c612cd3c57c402599f610d574ca78fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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