1,2-Dichloroethane → 3-tert-butoxycarbonyl-7-chloro-6-(3-fluoro-4-isopropylcarbamoyl-benzylamino)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

HRID 181779Notes

Reaction equation

HRID 181779 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[O:32][C:33](=[O:34])[N:35]1[CH2:36][CH2:37][c:38]2[c:39]([c:42]([NH:47][CH2:48][c:49]3[cH:50][c:51]([F:58])[c:52]([C:55](=[O:56])[OH:57])[cH:53][cH:54]3)[c:43]([Cl:46])[cH:44][cH:45]2)[CH2:40][CH2:41]1.[CH2:24]([Cl:25])[CH2:26][Cl:27].[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:1][CH:2]([CH3:3])[NH2:4].[CH:15]([N:16]([CH:17]([CH3:18])[CH3:19])[CH2:20][CH3:21])([CH3:22])[CH3:23].[OH:5][n:6]1[c:7]2[c:8]([cH:9][cH:10][cH:11][cH:12]2)[n:13][n:14]1>>[CH3:1][CH:2]([CH3:3])[NH:4][C:55]([c:52]1[c:51]([F:58])[cH:50][c:49]([CH2:48][NH:47][c:42]2[c:39]3[c:38]([cH:45][cH:44][c:43]2[Cl:46])[CH2:37][CH2:36][N:35]([C:33]([O:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:41][CH2:40]3)[cH:54][cH:53]1)=[O:56]

Participants

7

Reactant 6

HCID 111,2-DichloroethaneHCID 6363IsopropylamineHCID 8028TetrahydrofuranHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 57656039HCID 57656039, compound

Product 1

HCID 576564403-tert-butoxycarbonyl-7-chloro-6-(3-fluoro-4-isopropylcarbamoyl-benzylamino)-2,3,4,5-tetrahydro-1H-benzo[d]azepine

Sources & evidence

ORD record
ord-eefc476977d541e4bf0b4bf88fc2bccf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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