Toluene → 7-chloro-6-[4-(1-methyl-1H-imidazol-2-yl)-benzylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 2348188Notes

Reaction equation

HRID 2348188 reaction equation
[CH3:27][n:28]1[c:29](-[c:33]2[cH:34][cH:35][c:36]([CH2:37][NH2:38])[cH:39][cH:40]2)[n:30][cH:31][cH:32]1.[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>>[Cl:1][c:2]1[c:3]([NH:38][CH2:37][c:36]2[cH:35][cH:34][c:33](-[c:29]3[n:28]([CH3:27])[cH:32][cH:31][n:30]3)[cH:40][cH:39]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 57656174(4-(1-Methyl-1H-imidazol-2-yl)phenyl)methanamine

Product 1

HCID 866296137-chloro-6-[4-(1-methyl-1H-imidazol-2-yl)-benzylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-ab6394556893454a8da424751974a232
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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