Hydrochloric Acid → N-(1-methylpyrazol-3-yl)-6-[[5-[2-(oxan-2-yloxy)propoxy]-2-pyridinyl]oxy]quinazolin-4-amine

HRID 204440

Reaction equation

HRID 204440 reaction equation
[CH3:16][C:17]([CH3:18])([O-:19])[CH3:20].[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][CH:7]([CH3:8])[O:9][CH:10]1[O:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[CH3:22][n:23]1[n:24][c:25]([NH:28][c:29]2[n:30][cH:31][n:32][c:33]3[cH:34][cH:35][c:36]([O:39][c:40]4[cH:41][cH:42][c:43]([OH:46])[cH:44][n:45]4)[cH:37][c:38]23)[cH:26][cH:27]1.[CH3:49][S:50](=[O:51])[CH3:52].[ClH:47].[K+:21].[OH2:48]>>[O:5]([CH2:6][CH:7]([CH3:8])[O:9][CH:10]1[O:11][CH2:12][CH2:13][CH2:14][CH2:15]1)[c:43]1[cH:42][cH:41][c:40]([O:39][c:36]2[cH:35][cH:34][c:33]3[n:32][cH:31][n:30][c:29]([NH:28][c:25]4[n:24][n:23]([CH3:22])[cH:27][cH:26]4)[c:38]3[cH:37]2)[n:45][cH:44]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 962WaterHCID 45749132-Methylpropan-2-olateHCID 684298776-({4-[(1-methyl-1H-pyrazol-3-yl)amino]quinazolin-6-yl}oxy)pyridin-3-olHCID 723430182-(Oxan-2-yloxy)propyl methanesulfonate

Product 1

HCID 178458523N-(1-methylpyrazol-3-yl)-6-[[5-[2-(oxan-2-yloxy)propoxy]-2-pyridinyl]oxy]quinazolin-4-amine

Sources & evidence

ORD record
ord-03b27a584b634029b2d767bbf106bc20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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