N-Methylbutylamine → N-(4-(2-(butyl(methyl)amino)ethyl)phenyl)-6-(3,4-dichlorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
Reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:14][c:15]2[n:16][c:17]3[c:22]([cH:23][n:24]2)[CH2:21][CH:20]([c:25]2[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]2)[c:19]2[c:18]-3[cH:36][cH:35][cH:34][cH:33]2)[cH:12][cH:13]1)(=[O:4])=[O:5].[CH3:37][CH2:38][CH2:39][CH2:40][NH:41][CH3:42]>>[CH2:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:14][c:15]2[n:16][c:17]3[c:22]([cH:23][n:24]2)[CH2:21][CH:20]([c:25]2[cH:26][c:27]([Cl:32])[c:28]([Cl:31])[cH:29][cH:30]2)[c:19]2[c:18]-3[cH:36][cH:35][cH:34][cH:33]2)[cH:12][cH:13]1)[N:41]([CH2:40][CH2:39][CH2:38][CH3:37])[CH3:42]Participants
3
Sources & evidence
- ORD record
- ord-f52e897142244753b60156fb5f0ec7d2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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