1-[4-(Ethylsulfonyl)phenyl]methanamine → 7-chloro-6-(4-ethanesulfonyl-benzylamino)-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 2345268Notes

Reaction equation

HRID 2345268 reaction equation
[CH2:27]([CH3:28])[S:29](=[O:30])(=[O:31])[c:32]1[cH:33][cH:34][c:35]([CH2:36][NH2:37])[cH:38][cH:39]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:37][CH2:36][c:35]2[cH:34][cH:33][c:32]([S:29]([CH2:27][CH3:28])(=[O:30])=[O:31])[cH:39][cH:38]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

3

Reactant 2

HCID 179666261-[4-(Ethylsulfonyl)phenyl]methanamineHCID 574477477-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethylsulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Product 1

HCID 866296147-chloro-6-(4-ethanesulfonyl-benzylamino)-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-2b21d1e703714cf9b925ebaac5cd6819
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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