Dichloromethane → N-Dealkylated lapatinib

HRID 2323551Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[NH:7][CH2:8][c:9]1[o:10][c:11](-[c:14]2[cH:15][c:16]3[c:17]([NH:24][c:25]4[cH:26][c:27]([Cl:40])[c:28]([O:31][CH2:32][c:33]5[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]5)[cH:29][cH:30]4)[n:18][cH:19][n:20][c:21]3[cH:22][cH:23]2)[cH:12][cH:13]1)([CH3:5])([CH3:6])[CH3:41].[Cl:49][CH2:50][Cl:51].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48]>>[NH2:7][CH2:8][c:9]1[o:10][c:11](-[c:14]2[cH:15][c:16]3[c:17]([NH:24][c:25]4[cH:26][c:27]([Cl:40])[c:28]([O:31][CH2:32][c:33]5[cH:34][c:35]([F:39])[cH:36][cH:37][cH:38]5)[cH:29][cH:30]4)[n:18][cH:19][n:20][c:21]3[cH:22][cH:23]2)[cH:12][cH:13]1

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 66623782(5-(4-[3-Chloro-4-(3-fluoro-benzyloxy)-phenylamino]-quinazolin-6-yl)-furan-2-ylmethyl)-carbamic acid tert-butyl ester

Product 1

HCID 21952026N-Dealkylated lapatinib

Sources & evidence

ORD record: ord-35668de39ee74bbc93a2149dd5ff2bf9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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