Hydrochloric Acid → N-(5-chloro-1,3-benzodioxol-4-yl)-7-methoxy-5-(piperidin-4-yloxy)quinazolin-4-amine

HRID 671804Notes

Reaction equation

HRID 671804 reaction equation
[C:3]([O:4][C:5](=[O:6])[N:10]1[CH2:11][CH2:12][CH:13]([O:16][c:17]2[c:18]3[c:19]([NH:29][c:30]4[c:31]5[c:32]([cH:33][cH:34][c:35]4[Cl:36])[O:37][CH2:38][O:39]5)[n:20][cH:21][n:22][c:23]3[cH:24][c:25]([O:27][CH3:28])[cH:26]2)[CH2:14][CH2:15]1)([CH3:7])([CH3:8])[CH3:9].[CH2:47]([Cl:48])[Cl:49].[ClH:1].[ClH:2].[OH:40][C:41]([C:42]([F:43])([F:44])[F:45])=[O:46]>>[NH:10]1[CH2:11][CH2:12][CH:13]([O:16][c:17]2[c:18]3[c:19]([NH:29][c:30]4[c:31]5[c:32]([cH:33][cH:34][c:35]4[Cl:36])[O:37][CH2:38][O:39]5)[n:20][cH:21][n:22][c:23]3[cH:24][c:25]([O:27][CH3:28])[cH:26]2)[CH2:14][CH2:15]1

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 11974721Tert-butyl 4-[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-7-methoxyquinazolin-5-yl]oxypiperidine-1-carboxylate

Product 1

HCID 10274208N-(5-chloro-1,3-benzodioxol-4-yl)-7-methoxy-5-(piperidin-4-yloxy)quinazolin-4-amine

Sources & evidence

ORD record
ord-cc32ab5febba4983b20f97a2aeea9b51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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