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

HRID 140601Notes

Reaction equation

HRID 140601 reaction equation
[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:27][C:28]1([CH2:34][O:35][c:36]2[cH:37][cH:38][c:39]([CH2:40][NH2:41])[cH:42][cH:43]2)[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]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:41][CH2:40][c:39]2[cH:38][cH:37][c:36]([O:35][CH2:34][C:28]3([CH3:27])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)[cH:43][cH:42]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 312751,4-DioxaneHCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepineHCID 576563904-(1-Methyl-cyclohexylmethoxy)-benzylamine

Product 1

HCID 866296837-chloro-6-[4-(1-methyl-cyclohexylmethoxy)-benzylamino]-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-d3b1aab17b8d4344a33c3bd92099d2e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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