Chloride → N-(3,5-Dichloro-4-pyridinyl)-3-(3,4,8,9-tetrahydro-6-methoxy-3,3,8,8-tetramethylfuro[2,3-h]isoquinolin-1-yl)benzamide

HRID 666795Notes

Reaction equation

HRID 666795 reaction equation
[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:11]([c:12]3[c:13]1[O:14][C:15]([CH3:17])([CH3:18])[CH2:16]3)[C:10]([c:19]1[cH:20][c:21]([C:22](=[O:23])[OH:24])[cH:25][cH:26][cH:27]1)=[N:9][C:8]([CH3:28])([CH3:29])[CH2:7]2.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Cl-:45].[ClH:1].[H-:43].[NH2:34][c:35]1[c:36]([Cl:42])[cH:37][n:38][cH:39][c:40]1[Cl:41].[Na+:44].[OH2:51].[S:30]([Cl:31])([Cl:32])=[O:33]>>[CH3:2][O:3][c:4]1[cH:5][c:6]2[c:11]([c:12]3[c:13]1[O:14][C:15]([CH3:17])([CH3:18])[CH2:16]3)[C:10]([c:19]1[cH:20][c:21]([C:22](=[O:23])[NH:34][c:35]3[c:36]([Cl:42])[cH:37][n:38][cH:39][c:40]3[Cl:41])[cH:25][cH:26][cH:27]1)=[N:9][C:8]([CH3:28])([CH3:29])[CH2:7]2

Participants

10

Reactant 9

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 24386Thionyl ChlorideHCID 898884-Amino-3,5-dichloropyridineHCID 166653HydrideHCID 22343701HCID 22343701, compound

Product 1

HCID 22344269N-(3,5-Dichloro-4-pyridinyl)-3-(3,4,8,9-tetrahydro-6-methoxy-3,3,8,8-tetramethylfuro[2,3-h]isoquinolin-1-yl)benzamide

Sources & evidence

ORD record
ord-432ea8b96bef45e98c9631a7a3f3f86d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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