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

HRID 193087Notes

Reaction equation

HRID 193087 reaction equation
[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]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.[NH2:27][CH2:28][c:29]1[n:30][cH:31][c:32]([O:35][CH2:36][C:37]([F:38])([F:39])[F:40])[cH:33][cH:34]1>>[Cl:1][c:2]1[c:3]([NH:27][CH2:28][c:29]2[n:30][cH:31][c:32]([O:35][CH2:36][C:37]([F:38])([F:39])[F:40])[cH:33][cH:34]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 576560922-Pyridinemethanamine, 5-(2,2,2-trifluoroethoxy)-

Product 1

HCID 866296397-chloro-6-{[5-(2,2,2-trifluoro-ethoxy)-pyridin-2-ylmethyl]-amino}-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-23341f8d71d0494da9417c8c59d99f79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…