Water → 7-(3,5-Dimethyl-4-isoxazolyl)-4-{[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino}-6-(methyloxy)-3-quinolinecarboxamide

HRID 105710Notes

Reaction equation

HRID 105710 reaction equation
[CH3:24][c:25]1[s:26][c:27]([CH2:31][NH2:32])[c:28]([CH3:30])[n:29]1.[CH3:34][C:35]#[N:36].[Cl:1][c:2]1[c:3]([C:21](=[O:22])[NH2:23])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:14]3[c:15]([CH3:20])[n:16][o:17][c:18]3[CH3:19])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[OH2:33]>>[c:2]1([NH:32][CH2:31][c:27]2[s:26][c:25]([CH3:24])[n:29][c:28]2[CH3:30])[c:3]([C:21](=[O:22])[NH2:23])[cH:4][n:5][c:6]2[cH:7][c:8](-[c:14]3[c:15]([CH3:20])[n:16][o:17][c:18]3[CH3:19])[c:9]([O:12][CH3:13])[cH:10][c:11]12

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 25219195(Dimethyl-1,3-thiazol-5-yl)methanamineHCID 574655814-Chloro-7-(3,5-dimethylisoxazol-4-yl)-6-methoxyquinoline-3-carboxamide

Product 1

HCID 574655937-(3,5-Dimethyl-4-isoxazolyl)-4-{[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino}-6-(methyloxy)-3-quinolinecarboxamide

Sources & evidence

ORD record
ord-13d65337d9f741f5b153dadfe51c8b45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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