3-(4-Fluorobenzoyl)propyl chloride → 4-(1,2,6b,7,8,10,11,11a-octahydro-9H-azepino[4,5-b][1,4]oxazino[2,3,4-hi]indol-9-yl)-1-(4-fluorophenyl)-1-butanone

HRID 682821Notes

Reaction equation

HRID 682821 reaction equation
[CH2:1]1[CH2:2][O:3][c:4]2[cH:5][cH:6][cH:7][c:8]3[c:12]2[N:11]1[CH:10]1[CH:9]3[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1.[CH:31]([N:32]([CH2:33][CH3:34])[CH:35]([CH3:36])[CH3:37])([CH3:38])[CH3:39].[Cl:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[c:24]1[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]1.[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[CH2:1]1[CH2:2][O:3][c:4]2[cH:5][cH:6][cH:7][c:8]3[c:12]2[N:11]1[CH:10]1[CH:9]3[CH2:17][CH2:16][N:15]([CH2:19][CH2:20][CH2:21][C:22](=[O:23])[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[CH2:14][CH2:13]1

Participants

5

Reactant 4

HCID 197503-(4-Fluorobenzoyl)propyl chlorideHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 227357541,2,7,8,9,10,11,11a-octahydro-6bH-azepino[4,5-b][1,4]oxazino[2,3,4-hi]indole

Product 1

HCID 227354474-(1,2,6b,7,8,10,11,11a-octahydro-9H-azepino[4,5-b][1,4]oxazino[2,3,4-hi]indol-9-yl)-1-(4-fluorophenyl)-1-butanone

Sources & evidence

ORD record
ord-8ee75a94e14d460595d8d8f308efdd1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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