Potassium Cation → Hydrochloric Acid

HRID 182326Notes

Reaction equation

HRID 182326 reaction equation
[Br:19][c:20]1[c:21]([Cl:41])[c:22]([Cl:40])[c:23]([NH:26][c:27]2[n:28][cH:29][n:30][c:31]3[cH:32][c:33]([OH:39])[c:34]([O:37][CH3:38])[cH:35][c:36]23)[cH:24][cH:25]1.[C:42](=[O:43])([O-:44])[O-:45].[CH3:48][C:49]([N:50]([CH3:51])[CH3:52])=[O:53].[Cl:1][CH2:2][CH:3]1[CH2:4][N:5]2[CH:6]([CH2:7][O:8]1)[CH2:9][CH2:10][CH2:11]2.[F:12][C:13]([F:14])([F:15])[C:16]([OH:17])=[O:18].[K+:46].[K+:47]>>[CH2:2]([CH:3]1[CH2:4][N:5]2[CH:6]([CH2:7][O:8]1)[CH2:9][CH2:10][CH2:11]2)[O:39][c:33]1[cH:32][c:31]2[n:30][cH:29][n:28][c:27]([NH:26][c:23]3[c:22]([Cl:40])[c:21]([Cl:41])[c:20]([Br:19])[cH:25][cH:24]3)[c:36]2[cH:35][c:34]1[O:37][CH3:38].[ClH:1]

Participants

8

Reactant 6

HCID 813Potassium Cation2×HCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 685598783-(chloromethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazineHCID 1363351414-(4-Bromo-2,3-dichloroanilino)-6-methoxyquinazolin-7-ol

Product 2

HCID 313Hydrochloric AcidHCID 1784867107-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethoxy)-N-(4-bromo-2,3-dichlorophenyl)-6-methoxyquinazolin-4-amine

Sources & evidence

ORD record
ord-c86f2543947a45a7919aa0fe1ebf887f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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