Chloride → 1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(piperazin-1-yl)-xanthine
Reaction equation
[CH2:30]1[CH2:31][NH:32][CH2:33][CH2:34][NH:35]1.[CH3:1][c:2]1[n:3][c:4]([CH2:12][n:13]2[c:14](=[O:15])[n:16]([CH3:29])[c:17]3[n:18][c:19]([Br:28])[n:20]([CH2:24][C:25]#[C:26][CH3:27])[c:21]3[c:22]2=[O:23])[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl-:38].[Na+:37].[OH2:36]>>[CH3:1][c:2]1[n:3][c:4]([CH2:12][n:13]2[c:14](=[O:15])[n:16]([CH3:29])[c:17]3[n:18][c:19]([N:32]4[CH2:31][CH2:30][NH:35][CH2:34][CH2:33]4)[n:20]([CH2:24][C:25]#[C:26][CH3:27])[c:21]3[c:22]2=[O:23])[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-e98a87f072f8497c8dbefb2da61ff424
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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