Sodium ion → 1-Methyl-2-phenyl-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one

HRID 105430Notes

Reaction equation

[CH2:25]1[O:26][CH2:27][CH2:28][CH2:29]1.[CH3:30][N:31]1[CH2:32][CH2:33][CH2:34][N:35]([CH3:36])[C:37]1=[O:38].[H-:22].[I:23][CH3:24].[Na+:21].[c:1]1(-[c:7]2[nH:8][c:9]3[cH:10][cH:11][cH:12][c:13]4[c:14]3[c:15]2[CH2:16][CH2:17][NH:18][C:19]4=[O:20])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8]([CH3:24])[c:9]3[cH:10][cH:11][cH:12][c:13]4[c:14]3[c:15]2[CH2:16][CH2:17][NH:18][C:19]4=[O:20])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

Reactant 6

HCID 923Sodium ion

HCID 6328Methyl iodide

HCID 8028Tetrahydrofuran

HCID 816462(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

HCID 166653Hydride

HCID 102208822-Phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

Product 1

HCID 109567681-Methyl-2-phenyl-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one

Sources & evidence

ORD record: ord-d711f7ec004f4a6a8545a509a0d944c2
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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