Hydrochloric Acid → 7-(pyridin-4-ylethynyl)-3,4,5,6-tetrahydro-1H-2,5-ethanoazepino[4,3-b]indole

HRID 155305

Reaction equation

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[CH:11]1[CH2:12][CH2:13][N:14]([CH2:15]3)[CH2:16][CH2:17]1.[C:19](#[CH:20])[c:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1.[ClH:18].[Mg+2:27].[O-:28][S:29]([O-:30])(=[O:31])=[O:32]>>[c:2]1([C:20]#[C:19][c:21]2[cH:22][cH:23][n:24][cH:25][cH:26]2)[cH:3][cH:4][cH:5][c:6]2[c:7]3[c:8]([nH:9][c:10]12)[CH:11]1[CH2:12][CH2:13][N:14]([CH2:15]3)[CH2:16][CH2:17]1

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 888Magnesium Cation

HCID 1117Sulfate Ion

HCID 6428014-Ethynylpyridine

HCID 672401637-bromo-3,4,5,6-tetrahydro-1H-2,5-ethanoazepino[4,3-b]indole

Product 1

HCID 532512667-(pyridin-4-ylethynyl)-3,4,5,6-tetrahydro-1H-2,5-ethanoazepino[4,3-b]indole

Sources & evidence

ORD record: ord-d1d0b5a4d7114f719d878743b5382856
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Linked notes

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