Acetonitrile → 6-[6-(3,4-Dimethoxyphenyl)-6-[(4-methylphenyl)thio]-hexyl]-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline

HRID 1234864Notes

Reaction equation

HRID 1234864 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]([S:8][c:9]1[cH:10][cH:11][c:12]([CH3:15])[cH:13][cH:14]1)[c:16]1[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]1.[CH2:26]1[O:27][c:28]2[cH:29][c:30]3[c:35]([cH:36][c:37]2[O:38]1)[CH2:34][NH:33][CH2:32][CH2:31]3.[CH3:39][C:40]#[N:41]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH:7]([S:8][c:9]1[cH:10][cH:11][c:12]([CH3:15])[cH:13][cH:14]1)[c:16]1[cH:17][c:18]([O:24][CH3:25])[c:19]([O:22][CH3:23])[cH:20][cH:21]1)[N:33]1[CH2:32][CH2:31][c:30]2[cH:29][c:28]3[c:37]([cH:36][c:35]2[CH2:34]1)[O:38][CH2:26][O:27]3

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 270135,6,7,8-Tetrahydro-1,3-dioxolo(4,5-g)isoquinolineHCID 108122034-[6-Bromo-1-[(4-methylphenyl)thio]hexyl]-1,2-dimethoxybenzene

Product 1

HCID 105778646-[6-(3,4-Dimethoxyphenyl)-6-[(4-methylphenyl)thio]-hexyl]-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline

Sources & evidence

ORD record
ord-3e50e6e92eed4b6d995299354fa5cc06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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