Toluene → 7-chloro-6-{4-[1-(1,1,2,2,2-pentafluoroethyl)-ethoxy]-benzylamino}-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 817097Notes

Reaction equation

HRID 817097 reaction equation
[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[F:27][C:28]([C:29]([F:30])([F:31])[F:32])([F:33])[CH:34]([CH3:35])[O:36][c:37]1[cH:38][cH:39][c:40]([CH2:41][NH2:42])[cH:43][cH:44]1>>[Cl:1][c:2]1[c:3]([NH:42][CH2:41][c:40]2[cH:39][cH:38][c:37]([O:36][CH:34]([C:28]([F:27])([C:29]([F:30])([F:31])[F:32])[F:33])[CH3:35])[cH:44][cH:43]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2

Participants

4

Reactant 3

HCID 1140TolueneHCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 576559984-[1-(1,1,2,2,2-Pentafluoroethyl)-ethoxy]-benzylamine

Product 1

HCID 866296827-chloro-6-{4-[1-(1,1,2,2,2-pentafluoroethyl)-ethoxy]-benzylamino}-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-8aaefaef2fbf4e5b8072ce0cee79ec9e
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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