Isopropanol → 2-(4-Ethoxycarbonylpiperidino)-4-(3-chloro-4-methoxybenzyl)amino-6-cyanoquinazoline
Reaction equation
[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:43][CH:44]([OH:45])[CH3:46].[Cl:19][c:20]1[n:21][c:22]2[cH:23][cH:24][c:25]([C:41]#[N:42])[cH:26][c:27]2[c:28]([NH:30][CH2:31][c:32]2[cH:33][c:34]([Cl:40])[c:35]([O:38][CH3:39])[cH:36][cH:37]2)[n:29]1.[NH:1]1[CH2:2][CH2:3][CH:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[CH2:10][CH2:11]1>>[N:1]1([c:20]2[n:21][c:22]3[cH:23][cH:24][c:25]([C:41]#[N:42])[cH:26][c:27]3[c:28]([NH:30][CH2:31][c:32]3[cH:33][c:34]([Cl:40])[c:35]([O:38][CH3:39])[cH:36][cH:37]3)[n:29]2)[CH2:2][CH2:3][CH:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[CH2:10][CH2:11]1Participants
5
Sources & evidence
- ORD record
- ord-f442ff67e70d40cb8b3ce05352f3d5a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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