Ammonia → 1-Chloro-4-[2-(2-methoxy-pyridin-4-yl)-ethyl]-isoquinoline

HRID 1570777Notes

Reaction equation

HRID 1570777 reaction equation
[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]([CH2:9][CH2:10][c:11]2[cH:12][nH:13][c:14](=[O:21])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]23)[cH:8]1.[CH3:30][C:31]#[N:32].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[ClH:27].[NH3:29].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:28].[P:22]([Cl:23])([Cl:24])([Cl:25])=[O:26]>>[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]([CH2:9][CH2:10][c:11]2[cH:12][n:13][c:14]([Cl:24])[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]23)[cH:8]1

Participants

9

Reactant 8

HCID 222AmmoniaHCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 24813Phosphorus oxychlorideHCID 312751,4-DioxaneHCID 20636410HCID 20636410, compound

Product 1

HCID 179484481-Chloro-4-[2-(2-methoxy-pyridin-4-yl)-ethyl]-isoquinoline

Sources & evidence

ORD record
ord-f9aafc56865d42479df343bc9b733851
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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