Hydrochloric Acid → Hydrochloric Acid

HRID 691409Notes

Reaction equation

HRID 691409 reaction equation
[CH3:67][CH2:68][OH:69].[CH3:70][C:71]#[N:72].[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1[CH2:9][CH2:10][NH:11][c:12]1[n:13][c:14]([O:15][CH3:16])[n:17][c:18](-[c:19]2[cH:20][c:21]([OH:22])[cH:23][cH:24][cH:25]2)[cH:26]1.[Cl:39][c:40]1[c:41]([CH2:47][CH2:48][NH:49][c:50]2[n:51][c:52]([O:64][CH3:65])[n:53][c:54](-[c:56]3[cH:57][c:58]([O:62][CH3:63])[cH:59][cH:60][cH:61]3)[cH:55]2)[c:42]([F:46])[cH:43][cH:44][cH:45]1.[ClH:66].[N+:27]([c:28]1[cH:29][cH:30][c:31]([CH2:32][CH2:33][NH2:34])[cH:35][cH:36]1)([O-:37])=[O:38]>>[Cl:39][c:40]1[c:41]([CH2:47][CH2:48][NH:49][c:50]2[n:51][c:52]([O:64][CH3:65])[n:53][c:54](-[c:56]3[cH:57][c:58]([O:62][CH3:63])[cH:59][cH:60][cH:61]3)[cH:55]2)[c:42]([F:46])[cH:43][cH:44][cH:45]1.[ClH:1]

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6342AcetonitrileHCID 951534-NitrophenethylamineHCID 114948343-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-phenolHCID 57636022[2-(2-Chloro-6-fluoro-phenyl)-ethyl]-[2-methoxy-6-(3-methoxy-phenyl)-pyrimidin-4-yl]-amine

Product 2

HCID 313Hydrochloric AcidHCID 57636022[2-(2-Chloro-6-fluoro-phenyl)-ethyl]-[2-methoxy-6-(3-methoxy-phenyl)-pyrimidin-4-yl]-amine

Sources & evidence

ORD record
ord-bcabb66e0e5f450190a5ad8aa45df167
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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